2-[(Z)-2-phenanthren-3-ylethenyl]benzo[c]phenanthrene
Formula:C34H22
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(Z)-2-phenanthren-3-ylethenyl]benzo[c]phenanthrene is not a drug-like molecule.
| MolName | 2-[(Z)-2-phenanthren-3-ylethenyl]benzo[c]phenanthrene |
| MolecularFormula | C34H22 |
| Smiles | C(c1cc2c(cccc3)c3ccc2cc1)=C\c1cc2c3c4ccccc4ccc3ccc2cc1 |
| InChI | InChI=1S/C34H22/c1-3-7-30-25(5-1)15-16-27-13-11-23(21-32(27)30)9-10-24-12-14-28-18-20-29-19-17-26-6-2-4-8-31(26)34(29)33(28)22-24/h1-22H |
| InChIK | JACJQFMSFDADPR-UHFFFAOYSA-N |
| TotalMolweight | 430.549 |
| Molweight | 430.549 |
| MonoisotopicMass | 430.17215 |
| CLogP | 9.8386 |
| CLogS | -11.782 |
| TotalSurfaceArea | 332.52 |
| Druglikeness | -1.7224 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| Rotatable Bond | 2 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 32 |
| StereoCon |
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1 - 2-[(Z)-2-phenanthren-3-ylethenyl]benzo[c]phenanthrene | 2 - 2-[(Z)-2-phenanthren-3-ylethenyl]benzo[c]phenanthrene
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