(E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine
Formula:C13H15NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine is a drug-like molecule.
| MolName | (E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine |
| MolecularFormula | C13H15NO2 |
| Smiles | C(C1OC1)O/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C13H15NO2/c1-2-6-12-10(4-1)5-3-7-13(12)14-16-9-11-8-15-11/h1-2,4,6,11H,3,5,7-9H2/t11-/m0/s1 |
| InChIK | UICICMUEDFNVNQ-NSHDSACASA-N |
| TotalMolweight | 217.267 |
| Molweight | 217.267 |
| MonoisotopicMass | 217.110279 |
| CLogP | 2.7061 |
| CLogS | -3.413 |
| H Acceptors | 3 |
| TotalSurfaceArea | 178.18 |
| Relative PSA | 0.21978 |
| PolarSurfaceArea | 34.12 |
| Druglikeness | -6.4085 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| StereoCon | racemate |
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1 - (E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine | 2 - (E)-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine
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