phenyl (E)-3-(azocan-1-yl)prop-2-enoate
Formula:C16H21NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl (E)-3-(azocan-1-yl)prop-2-enoate is a drug-like molecule.
| MolName | phenyl (E)-3-(azocan-1-yl)prop-2-enoate |
| MolecularFormula | C16H21NO2 |
| Smiles | O=C(/C=C/N1CCCCCCC1)Oc1ccccc1 |
| InChI | InChI=1S/C16H21NO2/c18-16(19-15-9-5-4-6-10-15)11-14-17-12-7-2-1-3-8-13-17/h4-6,9-11,14H,1-3,7-8,12-13H2 |
| InChIK | LYYXCIUURONVGQ-UHFFFAOYSA-N |
| TotalMolweight | 259.348 |
| Molweight | 259.348 |
| MonoisotopicMass | 259.157229 |
| CLogP | 3.2552 |
| CLogS | -3.029 |
| H Acceptors | 3 |
| TotalSurfaceArea | 220.63 |
| Relative PSA | 0.12052 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | -4.7263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| StereoCon |
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