(E)-3-(2-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C19H13OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H13OCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H13ClO/c20-18-8-4-3-6-15(18)11-12-19(21)17-10-9-14-5-1-2-7-16(14)13-17/h1-13H |
| InChIK | ZXDUIUQFWPZFRC-UHFFFAOYSA-N |
| TotalMolweight | 292.764 |
| Molweight | 292.764 |
| MonoisotopicMass | 292.065492 |
| CLogP | 5.1042 |
| CLogS | -6.182 |
| H Acceptors | 1 |
| TotalSurfaceArea | 227.29 |
| Relative PSA | 0.057372 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.19772 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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