(E)-3-(3-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
Formula:C23H15OCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one |
| MolecularFormula | C23H15OCl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)c1cc2c(cccc3)c3ccc2cc1 |
| InChI | InChI=1S/C23H15ClO/c24-20-6-3-4-16(14-20)8-13-23(25)19-12-11-18-10-9-17-5-1-2-7-21(17)22(18)15-19/h1-15H |
| InChIK | ALSSJJSVZAXYOI-UHFFFAOYSA-N |
| TotalMolweight | 342.824 |
| Molweight | 342.824 |
| MonoisotopicMass | 342.081142 |
| CLogP | 6.2986 |
| CLogS | -7.788 |
| H Acceptors | 1 |
| TotalSurfaceArea | 261.89 |
| Relative PSA | 0.049792 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| StereoCon |
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