N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
Formula:C12H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C12H10N4O2 |
| Smiles | Oc1cccc(/C=N/NC(c2nccnc2)=O)c1 |
| InChI | InChI=1S/C12H10N4O2/c17-10-3-1-2-9(6-10)7-15-16-12(18)11-8-13-4-5-14-11/h1-8,17H,(H,16,18) |
| InChIK | NRWXVKRRPSGIJP-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 0.9081 |
| CLogS | -1.859 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 190.86 |
| Relative PSA | 0.37226 |
| PolarSurfaceArea | 87.47 |
| Druglikeness | 4.4204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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