3-CHLORO-1-(2-CHLORO-PHENYL)-4-(2-CHLORO-QUINOLINE-3-YL)-AZETIDIN-2-ONE

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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 SLLCYDORYMODFK-UHFFFAOYSA-N
Smiles ClC1C(N(C1=O)c2ccccc2Cl)c3cc4ccccc4nc3Cl
InChI
InChI=1S/C18H11Cl3N2O/c19-12-6-2-4-8-14(12)23-16(15(20)18(23)24)11-9-10-5-1-3-7-13(10)22-17(11)21/h1-9,15-16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H11Cl3N2O
Molecular Weight 377.65
AlogP 4.98
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 33.2
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2282086
PubChem 76327129
CONTENTS