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

Formula:C19H14N3O4ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide is a drug-like molecule.

MolName	3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)propanamide
MolecularFormula	C19H14N3O4ClS2
Smiles	[O-][N+](c(cccc1)c1NC(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O)=O
InChI	InChI=1S/C19H14ClN3O4S2/c20-13-6-2-1-5-12(13)11-16-18(25)22(19(28)29-16)10-9-17(24)21-14-7-3-4-8-15(14)23(26)27/h1-8,11H,9-10H2,(H,21,24)
InChIK	UMOUXVNUFWRYDM-UHFFFAOYSA-N
TotalMolweight	447.922
Molweight	447.922
MonoisotopicMass	447.011424
CLogP	2.3283
CLogS	-5.878
H Acceptors	7
H Donors	1
TotalSurfaceArea	318.3
Relative PSA	0.36758
PolarSurfaceArea	152.62
Druglikeness	-0.091093
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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