1-[(2E)-octa-2,7-dienyl]azepane
Formula:C14H25N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2E)-octa-2,7-dienyl]azepane is a drug-like molecule.
| MolName | 1-[(2E)-octa-2,7-dienyl]azepane |
| MolecularFormula | C14H25N |
| Smiles | C=CCCC/C=C/CN1CCCCCC1 |
| InChI | InChI=1S/C14H25N/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-15/h2,6,9H,1,3-5,7-8,10-14H2 |
| InChIK | GQNBVXIYWGANKK-UHFFFAOYSA-N |
| TotalMolweight | 207.359 |
| Molweight | 207.359 |
| MonoisotopicMass | 207.198699 |
| CLogP | 4.0344 |
| CLogS | -2.664 |
| H Acceptors | 1 |
| TotalSurfaceArea | 198.94 |
| Relative PSA | 0.017845 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | -11.924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 11 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(2E)-octa-2,7-dienyl]azepane | 2 - 1-[(2E)-octa-2,7-dienyl]azepane
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