N-[2-[(4S)-2,2-dimethyloxan-4-yl]ethyl]-1-(4-methoxyphenyl)methanimine
Formula:C17H25NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(4S)-2,2-dimethyloxan-4-yl]ethyl]-1-(4-methoxyphenyl)methanimine is a drug-like molecule.
| MolName | N-[2-[(4S)-2,2-dimethyloxan-4-yl]ethyl]-1-(4-methoxyphenyl)methanimine |
| MolecularFormula | C17H25NO2 |
| Smiles | CC1(C)OCC[C@H](CC/N=C/c(cc2)ccc2OC)C1 |
| InChI | InChI=1S/C17H25NO2/c1-17(2)12-14(9-11-20-17)8-10-18-13-15-4-6-16(19-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3/t14-/m1/s1 |
| InChIK | TYSWNJMEOLDUIV-CQSZACIVSA-N |
| TotalMolweight | 275.39 |
| Molweight | 275.39 |
| MonoisotopicMass | 275.188529 |
| CLogP | 3.3128 |
| CLogS | -3.508 |
| H Acceptors | 3 |
| TotalSurfaceArea | 233.01 |
| Relative PSA | 0.13523 |
| PolarSurfaceArea | 30.82 |
| Druglikeness | -0.87627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - N-[2-[(4S)-2,2-dimethyloxan-4-yl]ethyl]-1-(4-methoxyphenyl)methanimine | 2 - N-[2-[(4S)-2,2-dimethyloxan-4-yl]ethyl]-1-(4-methoxyphenyl)methanimine
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