1-[(E)-2-(benzotriazol-1-yl)ethenyl]benzotriazole
Formula:C14H10N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-(benzotriazol-1-yl)ethenyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(E)-2-(benzotriazol-1-yl)ethenyl]benzotriazole |
| MolecularFormula | C14H10N6 |
| Smiles | C(n1nnc2c1cccc2)=C/n1nnc2c1cccc2 |
| InChI | InChI=1S/C14H10N6/c1-3-7-13-11(5-1)15-17-19(13)9-10-20-14-8-4-2-6-12(14)16-18-20/h1-10H |
| InChIK | OLCCVFGNUQLDHQ-UHFFFAOYSA-N |
| TotalMolweight | 262.275 |
| Molweight | 262.275 |
| MonoisotopicMass | 262.096694 |
| CLogP | 0.8774 |
| CLogS | -3.446 |
| H Acceptors | 6 |
| TotalSurfaceArea | 202.16 |
| Relative PSA | 0.28502 |
| PolarSurfaceArea | 61.42 |
| Druglikeness | -3.5132 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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