N-[(E)-(2-bromophenyl)methylideneamino]pyrazine-2-carboxamide
Formula:C12H9N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-bromophenyl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(2-bromophenyl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C12H9N4OBr |
| Smiles | O=C(c1nccnc1)N/N=C/c(cccc1)c1Br |
| InChI | InChI=1S/C12H9BrN4O/c13-10-4-2-1-3-9(10)7-16-17-12(18)11-8-14-5-6-15-11/h1-8H,(H,17,18) |
| InChIK | QJBFBGQGJYPOAA-UHFFFAOYSA-N |
| TotalMolweight | 305.134 |
| Molweight | 305.134 |
| MonoisotopicMass | 303.995972 |
| CLogP | 1.979 |
| CLogS | -2.989 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.14 |
| Relative PSA | 0.28527 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 2.6787 |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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