(E)-3-phenanthren-9-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C30H22O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-phenanthren-9-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-phenanthren-9-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C30H22O2 |
| Smiles | O=C(/C=C/c1cc2ccccc2c2ccccc12)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C30H22O2/c31-29(28-16-8-9-17-30(28)32-21-22-10-2-1-3-11-22)19-18-24-20-23-12-4-5-13-25(23)27-15-7-6-14-26(24)27/h1-20H,21H2 |
| InChIK | ZCNODABXKAIVES-UHFFFAOYSA-N |
| TotalMolweight | 414.503 |
| Molweight | 414.503 |
| MonoisotopicMass | 414.16198 |
| CLogP | 7.0407 |
| CLogS | -8.393 |
| H Acceptors | 2 |
| TotalSurfaceArea | 329.99 |
| Relative PSA | 0.06982 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.13751 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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