(E)-N-hydroxy-3-pyridin-4-ylprop-2-enamide
Formula:C8H8N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-hydroxy-3-pyridin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-hydroxy-3-pyridin-4-ylprop-2-enamide |
| MolecularFormula | C8H8N2O2 |
| Smiles | ONC(/C=C/c1ccncc1)=O |
| InChI | InChI=1S/C8H8N2O2/c11-8(10-12)2-1-7-3-5-9-6-4-7/h1-6,12H,(H,10,11) |
| InChIK | FHKODKLQSIWYMG-UHFFFAOYSA-N |
| TotalMolweight | 164.164 |
| Molweight | 164.164 |
| MonoisotopicMass | 164.058578 |
| CLogP | -0.0414 |
| CLogS | -1.479 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 134.08 |
| Relative PSA | 0.36225 |
| PolarSurfaceArea | 62.22 |
| Druglikeness | -1.08 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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