N-[(E)-(2-nitrophenyl)methylideneamino]pyrazine-2-carboxamide
Formula:C12H9N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-nitrophenyl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(2-nitrophenyl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C12H9N5O3 |
| Smiles | [O-][N+](c1c(/C=N/NC(c2nccnc2)=O)cccc1)=O |
| InChI | InChI=1S/C12H9N5O3/c18-12(10-8-13-5-6-14-10)16-15-7-9-3-1-2-4-11(9)17(19)20/h1-8H,(H,16,18) |
| InChIK | WVMAGODKUKYCTR-UHFFFAOYSA-N |
| TotalMolweight | 271.235 |
| Molweight | 271.235 |
| MonoisotopicMass | 271.07054 |
| CLogP | 0.3322 |
| CLogS | -2.615 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 208.18 |
| Relative PSA | 0.42449 |
| PolarSurfaceArea | 113.06 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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