(E)-3-(2,3-dichlorophenyl)-1-phenylprop-2-en-1-one
Formula:C15H10OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dichlorophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,3-dichlorophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H10OCl2 |
| Smiles | O=C(/C=C/c1cccc(Cl)c1Cl)c1ccccc1 |
| InChI | InChI=1S/C15H10Cl2O/c16-13-8-4-7-12(15(13)17)9-10-14(18)11-5-2-1-3-6-11/h1-10H |
| InChIK | YJIFJJWZYRNGAY-UHFFFAOYSA-N |
| TotalMolweight | 277.149 |
| Molweight | 277.149 |
| MonoisotopicMass | 276.010869 |
| CLogP | 4.5158 |
| CLogS | -5.312 |
| H Acceptors | 1 |
| TotalSurfaceArea | 208.11 |
| Relative PSA | 0.062659 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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