(5Z)-4-hydroxy-3,4-diphenyl-5-[(E)-3-phenylprop-2-enylidene]cyclopent-2-en-1-one
Formula:C26H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-4-hydroxy-3,4-diphenyl-5-[(E)-3-phenylprop-2-enylidene]cyclopent-2-en-1-one is not a drug-like molecule.
| MolName | (5Z)-4-hydroxy-3,4-diphenyl-5-[(E)-3-phenylprop-2-enylidene]cyclopent-2-en-1-one |
| MolecularFormula | C26H20O2 |
| Smiles | OC(/C1=C/C=C/c2ccccc2)(C(c2ccccc2)=CC1=O)c1ccccc1 |
| InChI | InChI=1S/C26H20O2/c27-25-19-24(21-14-6-2-7-15-21)26(28,22-16-8-3-9-17-22)23(25)18-10-13-20-11-4-1-5-12-20/h1-19,28H/t26-/m0/s1 |
| InChIK | GDGBVQIEOJKVTA-SANMLTNESA-N |
| TotalMolweight | 364.443 |
| Molweight | 364.443 |
| MonoisotopicMass | 364.14633 |
| CLogP | 5.1172 |
| CLogS | -4.698 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 289.71 |
| Relative PSA | 0.090228 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 1.8588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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