(2-(2-METHOXYPHENYL)ETHYLIDENE)HYDRAZINE

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Molecule Category Free-form
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 MVQBSEWKWGBGJY-YRNVUSSQSA-N
Smiles COc1ccccc1C\C=N\N
InChI
InChI=1S/C9H12N2O/c1-12-9-5-3-2-4-8(9)6-7-11-10/h2-5,7H,6,10H2,1H3/b11-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12N2O
Molecular Weight 164.2
AlogP 1.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 47.61
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 60.1

Cross References

Resources Reference
ChEMBL CHEMBL2235134
PubChem 76311600
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