(5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C19H12N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C19H12N2O5S2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/C=C/c(cc2)cc3c2OCO3)=O)C1=S)=O
InChI	InChI=1S/C19H12N2O5S2/c22-18-17(3-1-2-12-4-9-15-16(10-12)26-11-25-15)28-19(27)20(18)13-5-7-14(8-6-13)21(23)24/h1-10H,11H2
InChIK	ZNOZKWVIYAUKOE-UHFFFAOYSA-N
TotalMolweight	412.445
Molweight	412.445
MonoisotopicMass	412.018763
CLogP	2.7387
CLogS	-6.466
H Acceptors	7
TotalSurfaceArea	292.91
Relative PSA	0.38408
PolarSurfaceArea	141.98
Druglikeness	-2.0517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - (5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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