N-(4-nitrophenyl)-2-[(5Z)-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-(4-nitrophenyl)-2-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(4-nitrophenyl)-2-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C20H15N3O4S2
Smiles	[O-][N+](c(cc1)ccc1NC(CN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=S)=O)=O
InChI	InChI=1S/C20H15N3O4S2/c24-18(21-15-9-11-16(12-10-15)23(26)27)13-22-19(25)17(29-20(22)28)8-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,24)
InChIK	PGDMXURRODQTTC-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	0.65517
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	4
Amides	2
AcidicOxygens	1
StereoCon

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