N'-(3-HYDROXYBENZYLIDENE)-2-(NAPHTHALEN-1-YLOXY)ACETOHYDRAZIDE

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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 SXHLRCNKEPTUCZ-UDWIEESQSA-N
Smiles Oc1cccc(\C=N\NC(=O)COc2cccc3ccccc23)c1
InChI
InChI=1S/C19H16N2O3/c22-16-8-3-5-14(11-16)12-20-21-19(23)13-24-18-10-4-7-15-6-1-2-9-17(15)18/h1-12,22H,13H2,(H,21,23)/b20-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16N2O3
Molecular Weight 320.34
AlogP 3.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 70.92
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2263142
PubChem 9617358
ZINC ZINC00580981
CONTENTS