2-[[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

Formula:C18H12N3O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate
MolecularFormula	C18H12N3O6S
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=O)=O
InChI	InChI=1S/C18H13N3O6S/c22-14-7-6-12(21(26)27)9-13(14)19-16(23)10-20-17(24)15(28-18(20)25)8-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,19,23)/p-1
InChIK	RNNZFHRPUOSPBW-UHFFFAOYSA-M
TotalMolweight	398.374
Molweight	398.374
MonoisotopicMass	398.044682
CLogP	-0.3106
CLogS	-4.225
H Acceptors	9
H Donors	1
TotalSurfaceArea	281.69
Relative PSA	0.41294
PolarSurfaceArea	160.66
Druglikeness	0.11955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
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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1 - 2-[[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate | 2 - 2-[[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

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