N-carbamoyl-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide
Formula:C9H11N4O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
N-carbamoyl-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide is a drug-like molecule.
| MolName | N-carbamoyl-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide |
| MolecularFormula | C9H11N4O3 |
| Smiles | NC(NC(C[n+]1cc(/C=N\O)ccc1)=O)=O |
| InChI | InChI=1S/C9H10N4O3/c10-9(15)12-8(14)6-13-3-1-2-7(5-13)4-11-16/h1-5H,6H2,(H3-,10,12,14,15,16)/p+1 |
| InChIK | NMIFSADJWWHLDV-UHFFFAOYSA-O |
| TotalMolweight | 223.211 |
| Molweight | 223.211 |
| MonoisotopicMass | 223.083116 |
| CLogP | -4.3426 |
| CLogS | -1.2 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 170.91 |
| Relative PSA | 0.46914 |
| PolarSurfaceArea | 108.66 |
| Druglikeness | 1.9006 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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