4-[[(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

Formula:C31H22N2O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[[(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
MolecularFormula	C31H22N2O4Cl2S
Smiles	OC(c1ccc(CN(C(/C(/S2)=C\c(cccc3)c3OCc(cc3)cc(Cl)c3Cl)=O)/C2=N/c2ccccc2)cc1)=O
InChI	InChI=1S/C31H22Cl2N2O4S/c32-25-15-12-21(16-26(25)33)19-39-27-9-5-4-6-23(27)17-28-29(36)35(18-20-10-13-22(14-11-20)30(37)38)31(40-28)34-24-7-2-1-3-8-24/h1-17H,18-19H2,(H,37,38)
InChIK	FUTLJOZBWLFDAF-UHFFFAOYSA-N
TotalMolweight	589.498
Molweight	589.498
MonoisotopicMass	588.067732
CLogP	6.6461
CLogS	-8.154
H Acceptors	6
H Donors	1
TotalSurfaceArea	424.72
Relative PSA	0.19243
PolarSurfaceArea	104.5
Druglikeness	4.2786
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[[(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid | 2 - 4-[[(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

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