(E)-3-(2,3-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C19H12OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2,3-dichlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H12OCl2 |
| Smiles | O=C(/C=C/c1cccc(Cl)c1Cl)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H12Cl2O/c20-17-7-3-6-14(19(17)21)10-11-18(22)16-9-8-13-4-1-2-5-15(13)12-16/h1-12H |
| InChIK | MVGRGZOEEPMMEK-UHFFFAOYSA-N |
| TotalMolweight | 327.209 |
| Molweight | 327.209 |
| MonoisotopicMass | 326.026519 |
| CLogP | 5.7102 |
| CLogS | -6.918 |
| H Acceptors | 1 |
| TotalSurfaceArea | 242.71 |
| Relative PSA | 0.053727 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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