N-(2-nitrophenyl)-2-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

Formula:C20H15N3O4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low N-(2-nitrophenyl)-2-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2-nitrophenyl)-2-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C20H15N3O4S2
Smiles	[O-][N+](c(cccc1)c1NC(CN(C(/C(/S1)=C\C=C\c2ccccc2)=O)C1=S)=O)=O
InChI	InChI=1S/C20H15N3O4S2/c24-18(21-15-10-4-5-11-16(15)23(26)27)13-22-19(25)17(29-20(22)28)12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
InChIK	QBZYHHVZZKLHLC-UHFFFAOYSA-N
TotalMolweight	425.488
Molweight	425.488
MonoisotopicMass	425.050397
CLogP	1.9245
CLogS	-5.184
H Acceptors	7
H Donors	1
TotalSurfaceArea	315.62
Relative PSA	0.3707
PolarSurfaceArea	152.62
Druglikeness	-0.063643
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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