(E)-2-benzyl-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine
Formula:C20H21NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-2-benzyl-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine is a drug-like molecule.
| MolName | (E)-2-benzyl-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine |
| MolecularFormula | C20H21NO2 |
| Smiles | C(C1OC1)O/N=C(\C(Cc1ccccc1)CC1)/c2c1cccc2 |
| InChI | InChI=1S/C20H21NO2/c1-2-6-15(7-3-1)12-17-11-10-16-8-4-5-9-19(16)20(17)21-23-14-18-13-22-18/h1-9,17-18H,10-14H2 |
| InChIK | WGXJJYIGOGCOJE-UHFFFAOYSA-N |
| TotalMolweight | 307.392 |
| Molweight | 307.392 |
| MonoisotopicMass | 307.157229 |
| CLogP | 4.4173 |
| CLogS | -4.708 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.44 |
| Relative PSA | 0.15636 |
| PolarSurfaceArea | 34.12 |
| Druglikeness | -4.2287 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - (E)-2-benzyl-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine | 2 - (E)-2-benzyl-N-(oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine
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