[(3E)-2-benzyl-3-benzylidenecyclopropyl]-diphenylmethanol
Formula:C30H26O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(3E)-2-benzyl-3-benzylidenecyclopropyl]-diphenylmethanol is not a drug-like molecule.
| MolName | [(3E)-2-benzyl-3-benzylidenecyclopropyl]-diphenylmethanol |
| MolecularFormula | C30H26O |
| Smiles | OC(C(C1Cc2ccccc2)/C1=C/c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C30H26O/c31-30(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29-27(21-23-13-5-1-6-14-23)28(29)22-24-15-7-2-8-16-24/h1-21,28-29,31H,22H2 |
| InChIK | FLLRDUYIVVAICX-UHFFFAOYSA-N |
| TotalMolweight | 402.535 |
| Molweight | 402.535 |
| MonoisotopicMass | 402.198365 |
| CLogP | 6.4778 |
| CLogS | -6.065 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 319.27 |
| Relative PSA | 0.041031 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | 0.58571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.3871 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 12 |
| StereoCon | unknown chirality |
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