(E)-N-(oxiran-2-ylmethoxy)-2,3-dihydroinden-1-imine
Formula:C12H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-N-(oxiran-2-ylmethoxy)-2,3-dihydroinden-1-imine is a drug-like molecule.
| MolName | (E)-N-(oxiran-2-ylmethoxy)-2,3-dihydroinden-1-imine |
| MolecularFormula | C12H13NO2 |
| Smiles | C(C1OC1)O/N=C(\CC1)/c2c1cccc2 |
| InChI | InChI=1S/C12H13NO2/c1-2-4-11-9(3-1)5-6-12(11)13-15-8-10-7-14-10/h1-4,10H,5-8H2/t10-/m0/s1 |
| InChIK | MPOHYJRZDMKDNL-JTQLQIEISA-N |
| TotalMolweight | 203.24 |
| Molweight | 203.24 |
| MonoisotopicMass | 203.094629 |
| CLogP | 2.3641 |
| CLogS | -3.143 |
| H Acceptors | 3 |
| TotalSurfaceArea | 164.42 |
| Relative PSA | 0.23817 |
| PolarSurfaceArea | 34.12 |
| Druglikeness | -4.5285 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon | racemate |
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1 - (E)-N-(oxiran-2-ylmethoxy)-2,3-dihydroinden-1-imine | 2 - (E)-N-(oxiran-2-ylmethoxy)-2,3-dihydroinden-1-imine
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