3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)propanamide

Formula:C19H14N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)propanamide is a drug-like molecule.

MolName	3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)propanamide
MolecularFormula	C19H14N3O5ClS2
Smiles	[O-][N+](c(cc1)cc(O)c1NC(CCN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)=O)=O
InChI	InChI=1S/C19H14ClN3O5S2/c20-12-3-1-11(2-4-12)9-16-18(26)22(19(29)30-16)8-7-17(25)21-14-6-5-13(23(27)28)10-15(14)24/h1-6,9-10,24H,7-8H2,(H,21,25)
InChIK	QEFMHACWSYFETO-UHFFFAOYSA-N
TotalMolweight	463.921
Molweight	463.921
MonoisotopicMass	463.006339
CLogP	1.9826
CLogS	-5.582
H Acceptors	8
H Donors	2
TotalSurfaceArea	324.65
Relative PSA	0.40074
PolarSurfaceArea	172.85
Druglikeness	-0.066928
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
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
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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