(E)-2-(2-((4-CHLOROPHENOXY)METHYL)PHENYL)-2-(METHOXYIMINO)-N-METHYLACETAMIDE

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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 CTXGCBYKELYXEM-CAPFRKAQSA-N
Smiles CNC(=O)\C(=N\OC)\c1ccccc1COc2ccc(Cl)cc2
InChI
InChI=1S/C17H17ClN2O3/c1-19-17(21)16(20-22-2)15-6-4-3-5-12(15)11-23-14-9-7-13(18)8-10-14/h3-10H,11H2,1-2H3,(H,19,21)/b20-16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17ClN2O3
Molecular Weight 332.78
AlogP 3.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 59.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2287154
PubChem 22419055
SureChEMBL SCHEMBL8369619
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