4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide

Formula:C20H16N3O4ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide is a drug-like molecule.

MolName	4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide
MolecularFormula	C20H16N3O4ClS2
Smiles	[O-][N+](c(cccc1)c1NC(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O)=O
InChI	InChI=1S/C20H16ClN3O4S2/c21-14-7-2-1-6-13(14)12-17-19(26)23(20(29)30-17)11-5-10-18(25)22-15-8-3-4-9-16(15)24(27)28/h1-4,6-9,12H,5,10-11H2,(H,22,25)
InChIK	IYTURJZLRVHXMF-UHFFFAOYSA-N
TotalMolweight	461.949
Molweight	461.949
MonoisotopicMass	461.027074
CLogP	2.7827
CLogS	-6.148
H Acceptors	7
H Donors	1
TotalSurfaceArea	332.06
Relative PSA	0.35235
PolarSurfaceArea	152.62
Druglikeness	-1.0198
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	2
AcidicOxygens	1
StereoCon

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