(E)-3-(azocan-1-yl)-1-phenylprop-2-en-1-one
Formula:C16H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(azocan-1-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(azocan-1-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C16H21NO |
| Smiles | O=C(/C=C/N1CCCCCCC1)c1ccccc1 |
| InChI | InChI=1S/C16H21NO/c18-16(15-9-5-4-6-10-15)11-14-17-12-7-2-1-3-8-13-17/h4-6,9-11,14H,1-3,7-8,12-13H2 |
| InChIK | ZVIREKASEKCTJM-UHFFFAOYSA-N |
| TotalMolweight | 243.349 |
| Molweight | 243.349 |
| MonoisotopicMass | 243.162314 |
| CLogP | 3.1397 |
| CLogS | -3.413 |
| H Acceptors | 2 |
| TotalSurfaceArea | 210.63 |
| Relative PSA | 0.078764 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -1.5202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon |
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