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

Formula:C20H15N3O5ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate
MolecularFormula	C20H15N3O5ClS2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C20H16ClN3O5S2/c21-14-5-2-1-4-12(14)10-17-19(27)23(20(30)31-17)9-3-6-18(26)22-15-11-13(24(28)29)7-8-16(15)25/h1-2,4-5,7-8,10-11,25H,3,6,9H2,(H,22,26)/p-1
InChIK	ZMGBNGACLPCZKM-UHFFFAOYSA-M
TotalMolweight	476.94
Molweight	476.94
MonoisotopicMass	476.014164
CLogP	0.859
CLogS	-5.852
H Acceptors	8
H Donors	1
TotalSurfaceArea	339.59
Relative PSA	0.38658
PolarSurfaceArea	175.68
Druglikeness	-0.9936
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	2
AcidicOxygens	1
StereoCon

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