(E)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
Formula:C31H20O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one |
| MolecularFormula | C31H20O |
| Smiles | O=C(/C=C/c1c(cccc2)c2cc2ccccc12)c1cc2ccc(cccc3)c3c2cc1 |
| InChI | InChI=1S/C31H20O/c32-31(25-15-16-29-24(20-25)14-13-21-7-1-4-10-26(21)29)18-17-30-27-11-5-2-8-22(27)19-23-9-3-6-12-28(23)30/h1-20H |
| InChIK | KXHULQVMFUEBRF-UHFFFAOYSA-N |
| TotalMolweight | 408.499 |
| Molweight | 408.499 |
| MonoisotopicMass | 408.151415 |
| CLogP | 8.0814 |
| CLogS | -10.264 |
| H Acceptors | 1 |
| TotalSurfaceArea | 315.67 |
| Relative PSA | 0.041309 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.1125 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| StereoCon |
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