2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
Formula:C15H15N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide |
| MolecularFormula | C15H15N4O3 |
| Smiles | O/N=C\c1ccc[n+](CC(NC(Nc2ccccc2)=O)=O)c1 |
| InChI | InChI=1S/C15H14N4O3/c20-14(11-19-8-4-5-12(10-19)9-16-22)18-15(21)17-13-6-2-1-3-7-13/h1-10H,11H2,(H2-,17,18,20,21,22)/p+1 |
| InChIK | DSIUHYFOXQALCD-UHFFFAOYSA-O |
| TotalMolweight | 299.309 |
| Molweight | 299.309 |
| MonoisotopicMass | 299.114416 |
| CLogP | -2.2824 |
| CLogS | -2.623 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 233.61 |
| Relative PSA | 0.32691 |
| PolarSurfaceArea | 94.67 |
| Druglikeness | 1.6865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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