1-[(2E)-octa-2,7-dienyl]pyrrolidine
Formula:C12H21N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2E)-octa-2,7-dienyl]pyrrolidine is a drug-like molecule.
| MolName | 1-[(2E)-octa-2,7-dienyl]pyrrolidine |
| MolecularFormula | C12H21N |
| Smiles | C=CCCC/C=C/CN1CCCC1 |
| InChI | InChI=1S/C12H21N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h2,6-7H,1,3-5,8-12H2 |
| InChIK | BHPAJQFGKLIYBS-UHFFFAOYSA-N |
| TotalMolweight | 179.306 |
| Molweight | 179.306 |
| MonoisotopicMass | 179.167399 |
| CLogP | 3.3504 |
| CLogS | -2.124 |
| H Acceptors | 1 |
| TotalSurfaceArea | 171.42 |
| Relative PSA | 0.020709 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | -9.1618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(2E)-octa-2,7-dienyl]pyrrolidine | 2 - 1-[(2E)-octa-2,7-dienyl]pyrrolidine
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