(2-CHLOROPHENYL)(MORPHOLINO)METHANONE

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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 ZRGHSGNYLSCFJY-UHFFFAOYSA-N
Smiles Clc1ccccc1C(=O)N2CCOCC2
InChI
InChI=1S/C11H12ClNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12ClNO2
Molecular Weight 225.67
AlogP 1.6
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL2262736
PubChem 225451
SureChEMBL SCHEMBL6938284
ZINC ZINC00064756
CONTENTS