N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxo-2-phenylethanimine oxide
Formula:C13H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxo-2-phenylethanimine oxide is a drug-like molecule.
| MolName | N-[(2Z)-2-hydroxyiminocyclopentyl]-2-oxo-2-phenylethanimine oxide |
| MolecularFormula | C13H14N2O3 |
| Smiles | [O-]/[N+](/C(CCC1)/C1=N\O)=C\C(c1ccccc1)=O |
| InChI | InChI=1S/C13H14N2O3/c16-13(10-5-2-1-3-6-10)9-15(18)12-8-4-7-11(12)14-17/h1-3,5-6,9,12,17H,4,7-8H2/b14-11-,15-9?/t12-/m0/s1 |
| InChIK | FJVSTQFBKBCZRQ-YLQLXREHSA-N |
| TotalMolweight | 246.265 |
| Molweight | 246.265 |
| MonoisotopicMass | 246.100443 |
| CLogP | 1.2425 |
| CLogS | -1.176 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.24 |
| Relative PSA | 0.28775 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -5.8041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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