N'-anilinobenzotriazole-1-carboximidamide
Formula:C13H12N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-anilinobenzotriazole-1-carboximidamide is a drug-like molecule.
| MolName | N'-anilinobenzotriazole-1-carboximidamide |
| MolecularFormula | C13H12N6 |
| Smiles | N/C(/n1nnc2c1cccc2)=N/Nc1ccccc1 |
| InChI | InChI=1S/C13H12N6/c14-13(17-15-10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-18-19/h1-9,15H,(H2,14,17) |
| InChIK | QGXGVWTWVWSURP-UHFFFAOYSA-N |
| TotalMolweight | 252.28 |
| Molweight | 252.28 |
| MonoisotopicMass | 252.112344 |
| CLogP | 3.5441 |
| CLogS | -3.696 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 197.29 |
| Relative PSA | 0.33986 |
| PolarSurfaceArea | 81.12 |
| Druglikeness | -2.4017 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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