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

Formula:C18H11N3O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate
MolecularFormula	C18H11N3O6ClS
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=O)=O
InChI	InChI=1S/C18H12ClN3O6S/c19-11-3-1-10(2-4-11)7-15-17(25)21(18(26)29-15)9-16(24)20-13-8-12(22(27)28)5-6-14(13)23/h1-8,23H,9H2,(H,20,24)/p-1
InChIK	HZLXCGJJQAOSHK-UHFFFAOYSA-M
TotalMolweight	432.819
Molweight	432.819
MonoisotopicMass	432.005709
CLogP	0.2954
CLogS	-4.961
H Acceptors	9
H Donors	1
TotalSurfaceArea	297.11
Relative PSA	0.3915
PolarSurfaceArea	160.66
Druglikeness	0.16954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
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-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate | 2 - 2-[[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

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