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[4-[(E)-[(3E)-2-oxo-3-[[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate

Formula:C38H30O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(E)-[(3E)-2-oxo-3-[[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
MolName[4-[(E)-[(3E)-2-oxo-3-[[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
MolecularFormulaC38H30O5
SmilesO=C(/C=C/c1ccccc1)Oc1ccc(/C=C(\CCC/C2=C\c(cc3)ccc3OC(/C=C/c3ccccc3)=O)/C2=O)cc1
InChIInChI=1S/C38H30O5/c39-36(24-18-28-8-3-1-4-9-28)42-34-20-14-30(15-21-34)26-32-12-7-13-33(38(32)41)27-31-16-22-35(23-17-31)43-37(40)25-19-29-10-5-2-6-11-29/h1-6,8-11,14-27H,7,12-13H2
InChIKVJNNIRPNLDZGOG-UHFFFAOYSA-N
TotalMolweight566.651
Molweight566.651
MonoisotopicMass566.209325
CLogP8.3574
CLogS-8.27
H Acceptors5
TotalSurfaceArea455.99
Relative PSA0.12965
PolarSurfaceArea69.67
Druglikeness-4.205
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.67442
Fragments1
Non HAtoms43
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms24
StereoCon

Request More Details | [4-[(E)-[(3E)-2-oxo-3-[[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate


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