3-[(5Z)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Formula:C25H18N2O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid is not a drug-like molecule.

MolName	3-[(5Z)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
MolecularFormula	C25H18N2O7S2
Smiles	[O-][N+](c(cc1)cc(/C=C(/C(N2c3cc(C(O)=O)ccc3)=O)\SC2=S)c1OCCOc1ccccc1)=O
InChI	InChI=1S/C25H18N2O7S2/c28-23-22(36-25(35)26(23)18-6-4-5-16(13-18)24(29)30)15-17-14-19(27(31)32)9-10-21(17)34-12-11-33-20-7-2-1-3-8-20/h1-10,13-15H,11-12H2,(H,29,30)
InChIK	YWFKJZSPWHCNKZ-UHFFFAOYSA-N
TotalMolweight	522.557
Molweight	522.557
MonoisotopicMass	522.055543
CLogP	2.8108
CLogS	-6.724
H Acceptors	9
H Donors	1
TotalSurfaceArea	377.53
Relative PSA	0.36723
PolarSurfaceArea	179.28
Druglikeness	-9.2716
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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1 - 3-[(5Z)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid | 2 - 3-[(5Z)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

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