N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyrazine-2-carboxamide
Formula:C12H8N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C12H8N4OCl2 |
| Smiles | O=C(c1nccnc1)N/N=C/c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C12H8Cl2N4O/c13-9-2-1-3-10(14)8(9)6-17-18-12(19)11-7-15-4-5-16-11/h1-7H,(H,18,19) |
| InChIK | CALRLLSTHLCJSU-UHFFFAOYSA-N |
| TotalMolweight | 295.129 |
| Molweight | 295.129 |
| MonoisotopicMass | 294.007515 |
| CLogP | 2.4658 |
| CLogS | -3.627 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.35 |
| Relative PSA | 0.2691 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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