[1-(furan-2-ylmethyl)aziridin-2-yl]methanol
Formula:C8H11NO2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
[1-(furan-2-ylmethyl)aziridin-2-yl]methanol is a drug-like molecule.
| MolName | [1-(furan-2-ylmethyl)aziridin-2-yl]methanol |
| MolecularFormula | C8H11NO2 |
| Smiles | OCC1N(Cc2ccco2)C1 |
| InChI | InChI=1S/C8H11NO2/c10-6-7-4-9(7)5-8-2-1-3-11-8/h1-3,7,10H,4-6H2/t7-,9?/m0/s1 |
| InChIK | TZDBAMHGHBDRIT-JAVCKPHESA-N |
| TotalMolweight | 153.18 |
| Molweight | 153.18 |
| MonoisotopicMass | 153.078979 |
| CLogP | -0.0238 |
| CLogS | -0.829 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 117.88 |
| Relative PSA | 0.24398 |
| PolarSurfaceArea | 36.38 |
| Druglikeness | 2.8464 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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