(R)-DICHLORPROP

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UNII 0UD1MQP96O
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key MZHCENGPTKEIGP-RXMQYKEDSA-N
Smiles C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O
InChI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8Cl2O3
Molecular Weight 235.06
AlogP 3.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0
Assay Description Organism Bioactivity Reference
Induction of hydroxyl radical production in Zea mays (maize) root assessed as PBN adducts formation at 1 mg/L measured after 3 days by EPR analysis Zea mays None
Induction of hydroxyl radical production in Zea mays (maize) root assessed as ROS adducts formation at 1 mg/L measured after 3 days by EPR analysis Zea mays None
Induction of POD activity in Zea mays (maize) root at 0.02 mg/L measured after 3 days Zea mays None
Phytotoxicity against Zea mays (maize) assessed as inhibition of shoot height at 1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 36.7 %
Induction of SOD activity in Zea mays (maize) root at 0.02 mg/L measured after 3 days Zea mays None
Phytotoxicity against Zea mays (maize) assessed as inhibition of root length at 1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 42.0 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of fresh weight at 1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 42.7 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of seed germination at 1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 41.4 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of shoot height at 0.5 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 20.7 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of root length at 0.5 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 38.4 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of fresh weight at 0.5 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 36.7 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of seed germination at 0.5 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 34.9 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of shoot height at 0.1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 8.61 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of root length at 0.1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 26.6 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of fresh weight at 0.1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 24.6 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of seed germination at 0.1 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 16.1 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of shoot height at 0.05 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 5.27 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of root length at 0.05 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 23.5 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of fresh weight at 0.05 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 14.8 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of seed germination at 0.05 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 10.7 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of shoot height at 0.02 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 3.52 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of root length at 0.02 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 14.3 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of fresh weight at 0.02 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 5.76 %
Phytotoxicity against Zea mays (maize) assessed as inhibition of seed germination at 0.02 mg/L and at 25 degC/20 degC day/night temperature 14 hr photoperiod for 3 days Zea mays 6.64 %

Cross References

Resources Reference
ChEMBL CHEMBL2252703
FDA SRS 0UD1MQP96O
PubChem 119435
SureChEMBL SCHEMBL55175
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