(5Z)-3-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C20H11NOCl2S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (5Z)-3-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName(5Z)-3-(3,4-dichlorophenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC20H11NOCl2S2
SmilesO=C(/C(/SC1=S)=C/c2cccc3ccccc23)N1c(cc1)cc(Cl)c1Cl
InChIInChI=1S/C20H11Cl2NOS2/c21-16-9-8-14(11-17(16)22)23-19(24)18(26-20(23)25)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H
InChIKQSPFLYRRHVKOST-UHFFFAOYSA-N
TotalMolweight416.351
Molweight416.351
MonoisotopicMass414.965908
CLogP5.2987
CLogS-8.061
H Acceptors2
TotalSurfaceArea287.92
Relative PSA0.21562
PolarSurfaceArea77.7
Druglikeness2.8296
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53846
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Amides1
StereoCon

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