[1-(cyclohexylmethyl)aziridin-2-yl]methanol
Formula:C10H19NO
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
[1-(cyclohexylmethyl)aziridin-2-yl]methanol is a drug-like molecule.
| MolName | [1-(cyclohexylmethyl)aziridin-2-yl]methanol |
| MolecularFormula | C10H19NO |
| Smiles | OCC1N(CC2CCCCC2)C1 |
| InChI | InChI=1S/C10H19NO/c12-8-10-7-11(10)6-9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-,11?/m1/s1 |
| InChIK | OLAMIBWUAHUYBQ-NFJWQWPMSA-N |
| TotalMolweight | 169.267 |
| Molweight | 169.267 |
| MonoisotopicMass | 169.146664 |
| CLogP | 1.1198 |
| CLogS | -1.45 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 136.23 |
| Relative PSA | 0.10754 |
| PolarSurfaceArea | 23.24 |
| Druglikeness | -2.0459 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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