(E)-3-(2,6-dichlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
Formula:C23H14OCl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one |
| MolecularFormula | C23H14OCl2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)c1cc2c(cccc3)c3ccc2cc1 |
| InChI | InChI=1S/C23H14Cl2O/c24-21-6-3-7-22(25)19(21)12-13-23(26)17-11-10-16-9-8-15-4-1-2-5-18(15)20(16)14-17/h1-14H |
| InChIK | LSEMFSDVMQCSKD-UHFFFAOYSA-N |
| TotalMolweight | 377.269 |
| Molweight | 377.269 |
| MonoisotopicMass | 376.042169 |
| CLogP | 6.9046 |
| CLogS | -8.524 |
| H Acceptors | 1 |
| TotalSurfaceArea | 277.31 |
| Relative PSA | 0.047023 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 3 |
| StereoCon |
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