N'-[(Z)-(2-chlorophenyl)methylideneamino]pyrazine-2-carboximidamide
Formula:C12H10N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-chlorophenyl)methylideneamino]pyrazine-2-carboximidamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chlorophenyl)methylideneamino]pyrazine-2-carboximidamide |
| MolecularFormula | C12H10N5Cl |
| Smiles | N/C(/c1nccnc1)=N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C12H10ClN5/c13-10-4-2-1-3-9(10)7-17-18-12(14)11-8-15-5-6-16-11/h1-8H,(H2,14,18) |
| InChIK | RUBWIUQYKPCDSG-UHFFFAOYSA-N |
| TotalMolweight | 259.699 |
| Molweight | 259.699 |
| MonoisotopicMass | 259.062472 |
| CLogP | 2.5978 |
| CLogS | -3.067 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 202.21 |
| Relative PSA | 0.29786 |
| PolarSurfaceArea | 76.52 |
| Druglikeness | 1.5131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; 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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