N'-(3-phenylbenzotriazol-3-ium-1-yl)methanimidamide
Formula:C13H12N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(3-phenylbenzotriazol-3-ium-1-yl)methanimidamide is a drug-like molecule.
| MolName | N'-(3-phenylbenzotriazol-3-ium-1-yl)methanimidamide |
| MolecularFormula | C13H12N5 |
| Smiles | N/C=N\n(c1c2cccc1)n[n+]2-c1ccccc1 |
| InChI | InChI=1S/C13H12N5/c14-10-15-18-13-9-5-4-8-12(13)17(16-18)11-6-2-1-3-7-11/h1-10H,(H2,14,15,16)/q+1 |
| InChIK | GFEXMRNYXQQMRC-UHFFFAOYSA-N |
| TotalMolweight | 238.273 |
| Molweight | 238.273 |
| MonoisotopicMass | 238.10927 |
| CLogP | -0.4092 |
| CLogS | -4.187 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 186.16 |
| Relative PSA | 0.25451 |
| PolarSurfaceArea | 60.08 |
| Druglikeness | 1.0911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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