2,7-bis[(E)-2-phenylethenyl]-9,10-dihydrophenanthrene
Formula:C30H24
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2,7-bis[(E)-2-phenylethenyl]-9,10-dihydrophenanthrene is not a drug-like molecule.
| MolName | 2,7-bis[(E)-2-phenylethenyl]-9,10-dihydrophenanthrene |
| MolecularFormula | C30H24 |
| Smiles | C(C1)c(cc(/C=C/c2ccccc2)cc2)c2-c2c1cc(/C=C/c1ccccc1)cc2 |
| InChI | InChI=1S/C30H24/c1-3-7-23(8-4-1)11-13-25-15-19-29-27(21-25)17-18-28-22-26(16-20-30(28)29)14-12-24-9-5-2-6-10-24/h1-16,19-22H,17-18H2 |
| InChIK | RVMPVJFYBBXHBC-UHFFFAOYSA-N |
| TotalMolweight | 384.521 |
| Molweight | 384.521 |
| MonoisotopicMass | 384.1878 |
| CLogP | 8.2056 |
| CLogS | -8.526 |
| TotalSurfaceArea | 319.56 |
| Druglikeness | -2.9015 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 17 |
| StereoCon |
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