3-[(1E)-dodeca-1,11-dienyl]pyridine
Formula:C17H25N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(1E)-dodeca-1,11-dienyl]pyridine is not a drug-like molecule.
| MolName | 3-[(1E)-dodeca-1,11-dienyl]pyridine |
| MolecularFormula | C17H25N |
| Smiles | C=CCCCCCCCC/C=C/c1cccnc1 |
| InChI | InChI=1S/C17H25N/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18-16-17/h2,11-16H,1,3-10H2 |
| InChIK | NSYHNTNNNVCHER-UHFFFAOYSA-N |
| TotalMolweight | 243.392 |
| Molweight | 243.392 |
| MonoisotopicMass | 243.198699 |
| CLogP | 5.6534 |
| CLogS | -4.098 |
| H Acceptors | 1 |
| TotalSurfaceArea | 233.14 |
| Relative PSA | 0.047053 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -18.347 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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