N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-4-carboxamide
Formula:C13H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-4-carboxamide |
| MolecularFormula | C13H12N4O2 |
| Smiles | N/C(/c(cc1)ccc1NC(c1ccncc1)=O)=N/O |
| InChI | InChI=1S/C13H12N4O2/c14-12(17-19)9-1-3-11(4-2-9)16-13(18)10-5-7-15-8-6-10/h1-8,19H,(H2,14,17)(H,16,18) |
| InChIK | LVDHLOQFKCASJM-UHFFFAOYSA-N |
| TotalMolweight | 256.264 |
| Molweight | 256.264 |
| MonoisotopicMass | 256.096026 |
| CLogP | 1.5149 |
| CLogS | -2.797 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 198.83 |
| Relative PSA | 0.37897 |
| PolarSurfaceArea | 100.6 |
| Druglikeness | 0.63501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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