(E)-N'-(2-BROMOBENZYLIDENE)ISONICOTINOHYDRAZIDE

/static/temp/default.svg Search structure
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 CUHHRVJRPCXTDE-CXUHLZMHSA-N
Smiles Brc1ccccc1\C=N\NC(=O)c2ccncc2
InChI
InChI=1S/C13H10BrN3O/c14-12-4-2-1-3-11(12)9-16-17-13(18)10-5-7-15-8-6-10/h1-9H,(H,17,18)/b16-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10BrN3O
Molecular Weight 304.14
AlogP 2.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL444259
PubChem 6870304
ZINC ZINC00254443
CONTENTS