(Z)-N-(oxiran-2-ylmethoxy)-2H-acenaphthylen-1-imine
Formula:C15H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-(oxiran-2-ylmethoxy)-2H-acenaphthylen-1-imine is a drug-like molecule.
| MolName | (Z)-N-(oxiran-2-ylmethoxy)-2H-acenaphthylen-1-imine |
| MolecularFormula | C15H13NO2 |
| Smiles | C(C1OC1)O/N=C(/C1)\c2cccc3cccc1c23 |
| InChI | InChI=1S/C15H13NO2/c1-3-10-4-2-6-13-14(7-11(5-1)15(10)13)16-18-9-12-8-17-12/h1-6,12H,7-9H2/t12-/m0/s1 |
| InChIK | APUGRUXGWQEPQQ-LBPRGKRZSA-N |
| TotalMolweight | 239.273 |
| Molweight | 239.273 |
| MonoisotopicMass | 239.094629 |
| CLogP | 3.2165 |
| CLogS | -4.479 |
| H Acceptors | 3 |
| TotalSurfaceArea | 185.26 |
| Relative PSA | 0.21138 |
| PolarSurfaceArea | 34.12 |
| Druglikeness | -3.4785 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
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