N-phenyl-1-quinolin-2-ylmethanimine oxide
Formula:C16H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-1-quinolin-2-ylmethanimine oxide is a drug-like molecule.
| MolName | N-phenyl-1-quinolin-2-ylmethanimine oxide |
| MolecularFormula | C16H12N2O |
| Smiles | [O-]/[N+](/c1ccccc1)=C\c1nc2ccccc2cc1 |
| InChI | InChI=1S/C16H12N2O/c19-18(15-7-2-1-3-8-15)12-14-11-10-13-6-4-5-9-16(13)17-14/h1-12H |
| InChIK | XCVSDYSQIOKRTN-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 3.3858 |
| CLogS | -4.358 |
| H Acceptors | 3 |
| TotalSurfaceArea | 197.01 |
| Relative PSA | 0.1439 |
| PolarSurfaceArea | 41.64 |
| Druglikeness | -4.6574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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