(Z)-3-chloro-1,2,3-triphenylprop-2-en-1-one
Formula:C21H15OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(Z)-3-chloro-1,2,3-triphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-chloro-1,2,3-triphenylprop-2-en-1-one |
| MolecularFormula | C21H15OCl |
| Smiles | O=C(/C(/c1ccccc1)=C(/c1ccccc1)\Cl)c1ccccc1 |
| InChI | InChI=1S/C21H15ClO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15H |
| InChIK | XJFMUOQVYZEAPM-UHFFFAOYSA-N |
| TotalMolweight | 318.802 |
| Molweight | 318.802 |
| MonoisotopicMass | 318.081142 |
| CLogP | 4.9193 |
| CLogS | -3.946 |
| H Acceptors | 1 |
| TotalSurfaceArea | 248.87 |
| Relative PSA | 0.052397 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.29137 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; 3-halo-enone |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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