(2E,5E)-2,5-bis(naphthalen-1-ylmethylidene)cyclopentan-1-one
Formula:C27H20O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E,5E)-2,5-bis(naphthalen-1-ylmethylidene)cyclopentan-1-one is not a drug-like molecule.
| MolName | (2E,5E)-2,5-bis(naphthalen-1-ylmethylidene)cyclopentan-1-one |
| MolecularFormula | C27H20O |
| Smiles | O=C(/C(/CC1)=C/c2cccc3ccccc23)/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C27H20O/c28-27-23(17-21-11-5-9-19-7-1-3-13-25(19)21)15-16-24(27)18-22-12-6-10-20-8-2-4-14-26(20)22/h1-14,17-18H,15-16H2 |
| InChIK | FVKZRGBDPHGIQV-UHFFFAOYSA-N |
| TotalMolweight | 360.455 |
| Molweight | 360.455 |
| MonoisotopicMass | 360.151415 |
| CLogP | 6.8848 |
| CLogS | -7.532 |
| H Acceptors | 1 |
| TotalSurfaceArea | 283.41 |
| Relative PSA | 0.046011 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.24405 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| StereoCon |
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