(E)-3-(azepan-1-yl)-1-phenylprop-2-en-1-one
Formula:C15H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(azepan-1-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(azepan-1-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H19NO |
| Smiles | O=C(/C=C/N1CCCCCC1)c1ccccc1 |
| InChI | InChI=1S/C15H19NO/c17-15(14-8-4-3-5-9-14)10-13-16-11-6-1-2-7-12-16/h3-5,8-10,13H,1-2,6-7,11-12H2 |
| InChIK | QJDNRYQBKUACLT-UHFFFAOYSA-N |
| TotalMolweight | 229.322 |
| Molweight | 229.322 |
| MonoisotopicMass | 229.146664 |
| CLogP | 2.5073 |
| CLogS | -3.143 |
| H Acceptors | 2 |
| TotalSurfaceArea | 196.87 |
| Relative PSA | 0.084269 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -1.2018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon |
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