4-[(1Z)-2-(2,3,4,5-tetrahydroazepin-1-yl)cyclododecen-1-yl]morpholine
Formula:C22H38N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(1Z)-2-(2,3,4,5-tetrahydroazepin-1-yl)cyclododecen-1-yl]morpholine is not a drug-like molecule.
| MolName | 4-[(1Z)-2-(2,3,4,5-tetrahydroazepin-1-yl)cyclododecen-1-yl]morpholine |
| MolecularFormula | C22H38N2O |
| Smiles | C(COCC1)N1/C(/CCCCCCCCCC1)=C1\N1C=CCCCC1 |
| InChI | InChI=1S/C22H38N2O/c1-2-4-6-10-14-22(24-17-19-25-20-18-24)21(13-9-5-3-1)23-15-11-7-8-12-16-23/h11,15H,1-10,12-14,16-20H2 |
| InChIK | UZWXGZJGTKABKP-UHFFFAOYSA-N |
| TotalMolweight | 346.557 |
| Molweight | 346.557 |
| MonoisotopicMass | 346.298413 |
| CLogP | 6.4841 |
| CLogS | -4.181 |
| H Acceptors | 3 |
| TotalSurfaceArea | 300.7 |
| Relative PSA | 0.056867 |
| PolarSurfaceArea | 15.71 |
| Druglikeness | -4.1178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Sp3Atoms | 21 |
| Symmetricatoms | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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