2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

Formula:C18H10N3O6Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate
MolecularFormula	C18H10N3O6Cl2S
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CN(C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)=O)C1=O)=O
InChI	InChI=1S/C18H11Cl2N3O6S/c19-11-2-1-3-12(20)10(11)7-15-17(26)22(18(27)30-15)8-16(25)21-13-6-9(23(28)29)4-5-14(13)24/h1-7,24H,8H2,(H,21,25)/p-1
InChIK	DONTUFCSMFMKKI-UHFFFAOYSA-M
TotalMolweight	467.264
Molweight	467.264
MonoisotopicMass	465.966736
CLogP	0.9014
CLogS	-5.697
H Acceptors	9
H Donors	1
TotalSurfaceArea	312.53
Relative PSA	0.37219
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	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate | 2 - 2-[[2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]-4-nitrophenolate

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