2-[3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate

Formula:C19H12N3O5Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate
MolecularFormula	C19H12N3O5Cl2S2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CCN(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C19H13Cl2N3O5S2/c20-11-2-1-10(13(21)8-11)7-16-18(27)23(19(30)31-16)6-5-17(26)22-14-9-12(24(28)29)3-4-15(14)25/h1-4,7-9,25H,5-6H2,(H,22,26)/p-1
InChIK	VBWZSEGAMZZDHO-UHFFFAOYSA-M
TotalMolweight	497.358
Molweight	497.358
MonoisotopicMass	495.959541
CLogP	1.0106
CLogS	-6.318
H Acceptors	8
H Donors	1
TotalSurfaceArea	341.25
Relative PSA	0.3847
PolarSurfaceArea	175.68
Druglikeness	-0.066928
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate | 2 - 2-[3-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate

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