1-[(E)-3-azidoprop-1-enyl]benzotriazole
Formula:C9H8N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-3-azidoprop-1-enyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(E)-3-azidoprop-1-enyl]benzotriazole |
| MolecularFormula | C9H8N6 |
| Smiles | [N-]=[N+]=NC/C=C/n1nnc2c1cccc2 |
| InChI | InChI=1S/C9H8N6/c10-13-11-6-3-7-15-9-5-2-1-4-8(9)12-14-15/h1-5,7H,6H2 |
| InChIK | BJUUSLDWBGVMFW-UHFFFAOYSA-N |
| TotalMolweight | 200.205 |
| Molweight | 200.205 |
| MonoisotopicMass | 200.081044 |
| CLogP | 0.5604 |
| CLogS | -2.195 |
| H Acceptors | 6 |
| TotalSurfaceArea | 165.48 |
| Relative PSA | 0.40005 |
| PolarSurfaceArea | 56.67 |
| Druglikeness | -5.3815 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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