4-[(2E)-octa-2,7-dienyl]morpholine
Formula:C12H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-octa-2,7-dienyl]morpholine is a drug-like molecule.
| MolName | 4-[(2E)-octa-2,7-dienyl]morpholine |
| MolecularFormula | C12H21NO |
| Smiles | C=CCCC/C=C/CN1CCOCC1 |
| InChI | InChI=1S/C12H21NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h2,6-7H,1,3-5,8-12H2 |
| InChIK | OQVYMPCQZXBCGP-UHFFFAOYSA-N |
| TotalMolweight | 195.305 |
| Molweight | 195.305 |
| MonoisotopicMass | 195.162314 |
| CLogP | 2.5284 |
| CLogS | -1.505 |
| H Acceptors | 2 |
| TotalSurfaceArea | 181.42 |
| Relative PSA | 0.074689 |
| PolarSurfaceArea | 12.47 |
| Druglikeness | -11.555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.85714 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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