(3E)-3-amino-3-hydroxyimino-N-pyridin-2-ylpropanamide
Formula:C8H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-3-hydroxyimino-N-pyridin-2-ylpropanamide is a drug-like molecule.
| MolName | (3E)-3-amino-3-hydroxyimino-N-pyridin-2-ylpropanamide |
| MolecularFormula | C8H10N4O2 |
| Smiles | N/C(/CC(Nc1ncccc1)=O)=N/O |
| InChI | InChI=1S/C8H10N4O2/c9-6(12-14)5-8(13)11-7-3-1-2-4-10-7/h1-4,14H,5H2,(H2,9,12)(H,10,11,13) |
| InChIK | WPWUZNVYFDDGLX-UHFFFAOYSA-N |
| TotalMolweight | 194.193 |
| Molweight | 194.193 |
| MonoisotopicMass | 194.080376 |
| CLogP | 0.1155 |
| CLogS | -1.884 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 152.83 |
| Relative PSA | 0.49303 |
| PolarSurfaceArea | 100.6 |
| Druglikeness | 0.77238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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