(2Z,5Z)-2,5-bis[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
Formula:C23H20O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5Z)-2,5-bis[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one is not a drug-like molecule.
| MolName | (2Z,5Z)-2,5-bis[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one |
| MolecularFormula | C23H20O |
| Smiles | O=C(/C(/CC1)=C\C=C\c2ccccc2)/C1=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C23H20O/c24-23-21(15-7-13-19-9-3-1-4-10-19)17-18-22(23)16-8-14-20-11-5-2-6-12-20/h1-16H,17-18H2 |
| InChIK | QMOAOGJBIBSQOO-UHFFFAOYSA-N |
| TotalMolweight | 312.411 |
| Molweight | 312.411 |
| MonoisotopicMass | 312.151415 |
| CLogP | 5.8092 |
| CLogS | -4.944 |
| H Acceptors | 1 |
| TotalSurfaceArea | 267.21 |
| Relative PSA | 0.048801 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.0098582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| StereoCon |
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