2-[[2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

Formula:C18H12N3O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[[2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[[2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate
MolecularFormula	C18H12N3O5S2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)=O
InChI	InChI=1S/C18H13N3O5S2/c22-14-7-6-12(21(25)26)9-13(14)19-16(23)10-20-17(24)15(28-18(20)27)8-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,19,23)/p-1
InChIK	XOGMBAMAADGXQA-UHFFFAOYSA-M
TotalMolweight	414.441
Molweight	414.441
MonoisotopicMass	414.021837
CLogP	-0.6558
CLogS	-4.576
H Acceptors	8
H Donors	1
TotalSurfaceArea	296.65
Relative PSA	0.44254
PolarSurfaceArea	175.68
Druglikeness	-0.23315
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate | 2 - 2-[[2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

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