Synonyms
UNII 8Z2819J40E
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 IAVREABSGIHHMO-UHFFFAOYSA-N
Smiles Oc1cccc(C=O)c1
InChI
InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6O2
Molecular Weight 122.12
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.29
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 9.0
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 31.0 ug.mL-1
Nematicidal activity against second-stage juveniles of Meloidogyne incognita (root-knot nematode) after 1 hr by inverted microscopic analysis Meloidogyne incognita 250.0 mg/L

Cross References

Resources Reference
ChEMBL CHEMBL243816
FDA SRS 8Z2819J40E
PubChem 101
SureChEMBL SCHEMBL35726
ZINC ZINC00901630