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[4-[(E)-[(3E)-3-[[4-(4-chlorobenzoyl)oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C34H24O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(E)-[(3E)-3-[[4-(4-chlorobenzoyl)oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName[4-[(E)-[(3E)-3-[[4-(4-chlorobenzoyl)oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC34H24O5Cl2
SmilesO=C(c(cc1)ccc1Cl)Oc1ccc(/C=C(\CCC/C2=C\c(cc3)ccc3OC(c(cc3)ccc3Cl)=O)/C2=O)cc1
InChIInChI=1S/C34H24Cl2O5/c35-28-12-8-24(9-13-28)33(38)40-30-16-4-22(5-17-30)20-26-2-1-3-27(32(26)37)21-23-6-18-31(19-7-23)41-34(39)25-10-14-29(36)15-11-25/h4-21H,1-3H2
InChIKJAUKSUFXEQDLON-UHFFFAOYSA-N
TotalMolweight583.466
Molweight583.466
MonoisotopicMass582.100079
CLogP8.911
CLogS-9.002
H Acceptors5
TotalSurfaceArea433.83
Relative PSA0.13627
PolarSurfaceArea69.67
Druglikeness-2.0615
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.65854
Fragments1
Non HAtoms41
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms23
StereoCon

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