5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid

Formula:C35H23N2O8Cl Mutagenic:low Tumorigenic:low Reproductive Effective:high 5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid is not a drug-like molecule.

MolName	5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid
MolecularFormula	C35H23N2O8Cl
Smiles	OC(c1cc(Nc(cc2)ccc2/C(/c(cccc2)c2Cl)=C(\C=C2)/C=C/C2=N\c2cc(C(O)=O)cc(C(O)=O)c2)cc(C(O)=O)c1)=O
InChI	InChI=1S/C35H23ClN2O8/c36-30-4-2-1-3-29(30)31(19-5-9-25(10-6-19)37-27-15-21(32(39)40)13-22(16-27)33(41)42)20-7-11-26(12-8-20)38-28-17-23(34(43)44)14-24(18-28)35(45)46/h1-18,37H,(H,39,40)(H,41,42)(H,43,44)(H,45,46)
InChIK	BXDXGMLBXQGRTO-UHFFFAOYSA-N
TotalMolweight	635.027
Molweight	635.027
MonoisotopicMass	634.114295
CLogP	4.606
CLogS	-7.529
H Acceptors	10
H Donors	5
TotalSurfaceArea	461.21
Relative PSA	0.27651
PolarSurfaceArea	173.59
Druglikeness	-4.1666
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.45652
Fragments	1
Non HAtoms	46
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	14
Amines	1
Aromatic Amines	1
AcidicOxygens	4
StereoCon

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1 - 5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid | 2 - 5-[4-[(2-chlorophenyl)-[4-(3,5-dicarboxyphenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzene-1,3-dicarboxylic acid

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