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

Formula:C16H11N3O4S3 Mutagenic:high Tumorigenic:high Reproductive Effective:low N-(2-nitrophenyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2-nitrophenyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C16H11N3O4S3
Smiles	[O-][N+](c(cccc1)c1NC(CN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O)=O
InChI	InChI=1S/C16H11N3O4S3/c20-14(17-11-5-1-2-6-12(11)19(22)23)9-18-15(21)13(26-16(18)24)8-10-4-3-7-25-10/h1-8H,9H2,(H,17,20)
InChIK	AAPQASIEVYWANC-UHFFFAOYSA-N
TotalMolweight	405.478
Molweight	405.478
MonoisotopicMass	404.991167
CLogP	1.1345
CLogS	-4.882
H Acceptors	7
H Donors	1
TotalSurfaceArea	285.06
Relative PSA	0.48186
PolarSurfaceArea	180.86
Druglikeness	0.2505
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	2
AcidicOxygens	1
StereoCon

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