Synonyms
UNII 4P8QP9768A
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 ZWLUXSQADUDCSB-UHFFFAOYSA-N
Smiles O=Cc1ccccc1C=O
InChI
InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6O2
Molecular Weight 134.13
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 10.0
Assay Description Organism Bioactivity Reference
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) after 1 day by inverted microscopic analysis Meloidogyne incognita 11.0 ug.mL-1
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) after 1 hr by inverted microscopic analysis Meloidogyne incognita 50.0 mg/L

Cross References

Resources Reference
ChEMBL CHEMBL160145
FDA SRS 4P8QP9768A
PubChem 4807
SureChEMBL SCHEMBL33393
ZINC ZINC01729594