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[4-[(E)-[(3E)-3-[[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Formula:C38H28O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(E)-[(3E)-3-[[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate is not a drug-like molecule.
MolName[4-[(E)-[(3E)-3-[[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
MolecularFormulaC38H28O5Cl2
SmilesO=C(/C=C/c(cc1)ccc1Cl)Oc1ccc(/C=C(\CCC/C2=C\c(cc3)ccc3OC(/C=C/c(cc3)ccc3Cl)=O)/C2=O)cc1
InChIInChI=1S/C38H28Cl2O5/c39-32-14-4-26(5-15-32)12-22-36(41)44-34-18-8-28(9-19-34)24-30-2-1-3-31(38(30)43)25-29-10-20-35(21-11-29)45-37(42)23-13-27-6-16-33(40)17-7-27/h4-25H,1-3H2
InChIKTXTHEKPPALCTIX-UHFFFAOYSA-N
TotalMolweight635.541
Molweight635.541
MonoisotopicMass634.131379
CLogP9.5694
CLogS-9.742
H Acceptors5
TotalSurfaceArea486.83
Relative PSA0.12144
PolarSurfaceArea69.67
Druglikeness-4.1113
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.68889
Fragments1
Non HAtoms45
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms25
StereoCon

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