TRANS-(E)-2-(METHOXYIMINO)-N-METHYL-2-(2-STYRYLPHENYL)ACETAMIDE

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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 UWLBCXUSVTXZCJ-UBZACWCHSA-N
Smiles CNC(=O)\C(=N\OC)\c1ccccc1\C=C\c2ccccc2
InChI
InChI=1S/C18H18N2O2/c1-19-18(21)17(20-22-2)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-13H,1-2H3,(H,19,21)/b13-12+,20-17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N2O2
Molecular Weight 294.35
AlogP 3.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 50.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEMBL CHEMBL2288580
PubChem 19429869
SureChEMBL SCHEMBL8368309
CONTENTS