(5E)-3-(2-chlorophenyl)-5-[(2-cyclohexylsulfanyl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H19N2O3ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-(2-chlorophenyl)-5-[(2-cyclohexylsulfanyl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-(2-chlorophenyl)-5-[(2-cyclohexylsulfanyl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H19N2O3ClS3
Smiles	[O-][N+](c(cc1)cc(/C=C(\C(N2c(cccc3)c3Cl)=O)/SC2=S)c1SC1CCCCC1)=O
InChI	InChI=1S/C22H19ClN2O3S3/c23-17-8-4-5-9-18(17)24-21(26)20(31-22(24)29)13-14-12-15(25(27)28)10-11-19(14)30-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2
InChIK	XOTJXENTPYVVPF-UHFFFAOYSA-N
TotalMolweight	491.055
Molweight	491.055
MonoisotopicMass	490.02463
CLogP	4.6814
CLogS	-8.351
H Acceptors	5
TotalSurfaceArea	346.86
Relative PSA	0.3171
PolarSurfaceArea	148.82
Druglikeness	-6.4739
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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