N-[(2Z)-2-hydroxyimino-2-phenylethyl]-1-phenylmethanimine oxide
Formula:C15H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-1-phenylmethanimine oxide is a drug-like molecule.
| MolName | N-[(2Z)-2-hydroxyimino-2-phenylethyl]-1-phenylmethanimine oxide |
| MolecularFormula | C15H14N2O2 |
| Smiles | [O-]/[N+](/C/C(/c1ccccc1)=N\O)=C/c1ccccc1 |
| InChI | InChI=1S/C15H14N2O2/c18-16-15(14-9-5-2-6-10-14)12-17(19)11-13-7-3-1-4-8-13/h1-11,18H,12H2 |
| InChIK | UOCHOGQHKSMDQU-UHFFFAOYSA-N |
| TotalMolweight | 254.288 |
| Molweight | 254.288 |
| MonoisotopicMass | 254.105528 |
| CLogP | 2.8982 |
| CLogS | -1.768 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.73 |
| Relative PSA | 0.20312 |
| PolarSurfaceArea | 61.34 |
| Druglikeness | -4.1035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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