N'-(1,3-dithiolan-2-ylideneamino)pyrazine-2-carboximidamide
Formula:C8H9N5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(1,3-dithiolan-2-ylideneamino)pyrazine-2-carboximidamide is a drug-like molecule.
| MolName | N'-(1,3-dithiolan-2-ylideneamino)pyrazine-2-carboximidamide |
| MolecularFormula | C8H9N5S2 |
| Smiles | N/C(/c1nccnc1)=N/N=C1SCCS1 |
| InChI | InChI=1S/C8H9N5S2/c9-7(6-5-10-1-2-11-6)12-13-8-14-3-4-15-8/h1-2,5H,3-4H2,(H2,9,12) |
| InChIK | ABORHWNKHCNJPY-UHFFFAOYSA-N |
| TotalMolweight | 239.326 |
| Molweight | 239.326 |
| MonoisotopicMass | 239.029935 |
| CLogP | 1.8445 |
| CLogS | -2.273 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 174.24 |
| Relative PSA | 0.54643 |
| PolarSurfaceArea | 127.12 |
| Druglikeness | -3.6166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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