1-[(E)-2-phenylethenyl]benzo[c]phenanthrene
Formula:C26H18
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-phenylethenyl]benzo[c]phenanthrene is not a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]benzo[c]phenanthrene |
| MolecularFormula | C26H18 |
| Smiles | C(c1ccccc1)=C/c1cccc2ccc(ccc3ccccc33)c3c12 |
| InChI | InChI=1S/C26H18/c1-2-7-19(8-3-1)13-14-21-10-6-11-22-17-18-23-16-15-20-9-4-5-12-24(20)26(23)25(21)22/h1-18H |
| InChIK | OWVQNZVTUIJVIB-UHFFFAOYSA-N |
| TotalMolweight | 330.429 |
| Molweight | 330.429 |
| MonoisotopicMass | 330.14085 |
| CLogP | 7.4498 |
| CLogS | -8.57 |
| TotalSurfaceArea | 263.32 |
| Druglikeness | -1.7224 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 2 |
| StereoCon |
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