2-(3-CHLORO-4-FLUOROPHENYLIMINO)-5-(4-HYDROXYBENZYLIDENE)-4-THIAZOLIDINONE

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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 FOLKFXCYLMOWMP-AUWJEWJLSA-N
Smiles Oc1ccc(\C=C\2/S\C(=N\c3ccc(F)c(Cl)c3)\NC2=O)cc1
InChI
InChI=1S/C16H10ClFN2O2S/c17-12-8-10(3-6-13(12)18)19-16-20-15(22)14(23-16)7-9-1-4-11(21)5-2-9/h1-8,21H,(H,19,20,22)/b14-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10ClFN2O2S
Molecular Weight 348.78
AlogP 4.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 86.99
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2235436
PubChem 6205112
ZINC ZINC05376349
CONTENTS