N'-(3-CHLOROBENZYLIDENE)BENZOHYDRAZIDE

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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 ISYSUJPWVBUSQX-MHWRWJLKSA-N
Smiles Clc1cccc(\C=N\NC(=O)c2ccccc2)c1
InChI
InChI=1S/C14H11ClN2O/c15-13-8-4-5-11(9-13)10-16-17-14(18)12-6-2-1-3-7-12/h1-10H,(H,17,18)/b16-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11ClN2O
Molecular Weight 258.7
AlogP 3.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 41.46
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL2235153
PubChem 6861478
SureChEMBL SCHEMBL13475714
ZINC ZINC00271240
CONTENTS