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

Formula:C19H13N3O5ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate
MolecularFormula	C19H13N3O5ClS2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C19H14ClN3O5S2/c20-13-4-2-1-3-11(13)9-16-18(26)22(19(29)30-16)8-7-17(25)21-14-10-12(23(27)28)5-6-15(14)24/h1-6,9-10,24H,7-8H2,(H,21,25)/p-1
InChIK	JNBQEJNUKABFIQ-UHFFFAOYSA-M
TotalMolweight	462.913
Molweight	462.913
MonoisotopicMass	461.998514
CLogP	0.4046
CLogS	-5.582
H Acceptors	8
H Donors	1
TotalSurfaceArea	325.83
Relative PSA	0.40291
PolarSurfaceArea	175.68
Druglikeness	-0.066928
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
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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