4-[[(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

Formula:C33H24N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
MolecularFormula	C33H24N4O5S
Smiles	[O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=C(/C(N3Cc(cc4)ccc4C(O)=O)=O)\S/C3=N\c3ccccc3)c2)cc1)=O
InChI	InChI=1S/C33H24N4O5S/c38-31-30(18-25-21-35(29-9-5-4-8-28(25)29)19-22-12-16-27(17-13-22)37(41)42)43-33(34-26-6-2-1-3-7-26)36(31)20-23-10-14-24(15-11-23)32(39)40/h1-18,21H,19-20H2,(H,39,40)
InChIK	PDRUHKDUGKYPES-UHFFFAOYSA-N
TotalMolweight	588.643
Molweight	588.643
MonoisotopicMass	588.146741
CLogP	4.6941
CLogS	-6.779
H Acceptors	9
H Donors	1
TotalSurfaceArea	431.35
Relative PSA	0.25274
PolarSurfaceArea	146.02
Druglikeness	-0.47093
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48837
Fragments	1
Non HAtoms	43
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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1 - 4-[[(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid | 2 - 4-[[(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

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