N'-hydroxy-2-(oxan-2-yloxy)-2-phenylethanimidamide
Formula:C13H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-(oxan-2-yloxy)-2-phenylethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-(oxan-2-yloxy)-2-phenylethanimidamide |
| MolecularFormula | C13H18N2O3 |
| Smiles | N/C(/C(c1ccccc1)OC1OCCCC1)=N/O |
| InChI | InChI=1S/C13H18N2O3/c14-13(15-16)12(10-6-2-1-3-7-10)18-11-8-4-5-9-17-11/h1-3,6-7,11-12,16H,4-5,8-9H2,(H2,14,15) |
| InChIK | VMFUVRVSMBFNEG-UHFFFAOYSA-N |
| TotalMolweight | 250.297 |
| Molweight | 250.297 |
| MonoisotopicMass | 250.131743 |
| CLogP | 1.6175 |
| CLogS | -2.523 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 197.64 |
| Relative PSA | 0.30298 |
| PolarSurfaceArea | 77.07 |
| Druglikeness | -5.7622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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