(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C16H10N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C16H10N2O5S2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c(cc2)cc(O)c2O)=O)C1=S)=O
InChI	InChI=1S/C16H10N2O5S2/c19-12-6-1-9(7-13(12)20)8-14-15(21)17(16(24)25-14)10-2-4-11(5-3-10)18(22)23/h1-8,19-20H
InChIK	ZNWYGQPSLZVNHI-UHFFFAOYSA-N
TotalMolweight	374.396
Molweight	374.396
MonoisotopicMass	374.003113
CLogP	1.2793
CLogS	-4.851
H Acceptors	7
H Donors	2
TotalSurfaceArea	258.85
Relative PSA	0.45857
PolarSurfaceArea	163.98
Druglikeness	-2.261
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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