2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

Formula:C18H10N3O5Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate
MolecularFormula	C18H10N3O5Cl2S2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CN(C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C18H11Cl2N3O5S2/c19-11-2-1-3-12(20)10(11)7-15-17(26)22(18(29)30-15)8-16(25)21-13-6-9(23(27)28)4-5-14(13)24/h1-7,24H,8H2,(H,21,25)/p-1
InChIK	PHLWNCYRCOWVBW-UHFFFAOYSA-M
TotalMolweight	483.331
Molweight	483.331
MonoisotopicMass	481.943891
CLogP	0.5562
CLogS	-6.048
H Acceptors	8
H Donors	1
TotalSurfaceArea	327.49
Relative PSA	0.40087
PolarSurfaceArea	175.68
Druglikeness	-0.17391
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate | 2 - 2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

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