N'-(2-HYDROXYBENZYLIDENE)ISONICOTINOHYDRAZIDE

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Synonyms
Molecule Category Free-form
UNII 2H42W1O4O2
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 VBIZUNYMJSPHBH-OQLLNIDSSA-N
Smiles Oc1ccccc1\C=N\NC(=O)c2ccncc2
InChI
InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11N3O2
Molecular Weight 241.25
AlogP 1.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 74.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL201761
FDA SRS 2H42W1O4O2
SureChEMBL SCHEMBL564002
ZINC ZINC00002061
CONTENTS