2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-morpholin-4-ylethanone
Formula:C12H16N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-morpholin-4-ylethanone is a drug-like molecule.
| MolName | 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-morpholin-4-ylethanone |
| MolecularFormula | C12H16N3O3 |
| Smiles | O/N=C\c1ccc[n+](CC(N2CCOCC2)=O)c1 |
| InChI | InChI=1S/C12H15N3O3/c16-12(15-4-6-18-7-5-15)10-14-3-1-2-11(9-14)8-13-17/h1-3,8-9H,4-7,10H2/p+1 |
| InChIK | JWVHMVLLWMTFRN-UHFFFAOYSA-O |
| TotalMolweight | 250.277 |
| Molweight | 250.277 |
| MonoisotopicMass | 250.119167 |
| CLogP | -3.5413 |
| CLogS | -0.36 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 195.02 |
| Relative PSA | 0.27669 |
| PolarSurfaceArea | 66.01 |
| Druglikeness | 2.841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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