2-(benzimidazol-1-yl)-1-(diaminomethylidene)guanidine
Formula:C9H11N7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzimidazol-1-yl)-1-(diaminomethylidene)guanidine is a drug-like molecule.
| MolName | 2-(benzimidazol-1-yl)-1-(diaminomethylidene)guanidine |
| MolecularFormula | C9H11N7 |
| Smiles | NC(N)=N/C(/N)=N/n1c(cccc2)c2nc1 |
| InChI | InChI=1S/C9H11N7/c10-8(11)14-9(12)15-16-5-13-6-3-1-2-4-7(6)16/h1-5H,(H6,10,11,12,14,15) |
| InChIK | KLKGKRILSQNKMH-UHFFFAOYSA-N |
| TotalMolweight | 217.235 |
| Molweight | 217.235 |
| MonoisotopicMass | 217.107593 |
| CLogP | -0.2937 |
| CLogS | -5.03 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 167.32 |
| Relative PSA | 0.51799 |
| PolarSurfaceArea | 120.6 |
| Druglikeness | 2.7768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 3 |
| StereoCon |
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