4-hydroxy-3-imino-6-[(E)-2-phenylethenyl]pyrazine-2-carboxamide
Formula:C13H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-3-imino-6-[(E)-2-phenylethenyl]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | 4-hydroxy-3-imino-6-[(E)-2-phenylethenyl]pyrazine-2-carboxamide |
| MolecularFormula | C13H12N4O2 |
| Smiles | NC(C(C1=N)=NC(/C=C/c2ccccc2)=CN1O)=O |
| InChI | InChI=1S/C13H12N4O2/c14-12-11(13(15)18)16-10(8-17(12)19)7-6-9-4-2-1-3-5-9/h1-8,14,19H,(H2,15,18) |
| InChIK | DOGPAEOUULWEEV-UHFFFAOYSA-N |
| TotalMolweight | 256.264 |
| Molweight | 256.264 |
| MonoisotopicMass | 256.096026 |
| CLogP | -1.3053 |
| CLogS | -1.556 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 197.17 |
| Relative PSA | 0.36552 |
| PolarSurfaceArea | 102.77 |
| Druglikeness | 2.6725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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