(5Z)-5-benzylidene-3-[(3-chloroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C17H13N2OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-benzylidene-3-[(3-chloroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-5-benzylidene-3-[(3-chloroanilino)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC17H13N2OClS2
SmilesO=C(/C(/S1)=C/c2ccccc2)N(CNc2cccc(Cl)c2)C1=S
InChIInChI=1S/C17H13ClN2OS2/c18-13-7-4-8-14(10-13)19-11-20-16(21)15(23-17(20)22)9-12-5-2-1-3-6-12/h1-10,19H,11H2
InChIKZZNHESGIFCIKGI-UHFFFAOYSA-N
TotalMolweight360.888
Molweight360.888
MonoisotopicMass360.01578
CLogP3.1645
CLogS-5.695
H Acceptors3
H Donors1
TotalSurfaceArea263.12
Relative PSA0.27949
PolarSurfaceArea89.73
Druglikeness3.3852
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsmethanediamine
Shape Index0.6087
Fragments1
Non HAtoms23
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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