1-[(Z)-2-(benzotriazol-1-yl)-1-chloroethenyl]benzotriazole
Formula:C14H9N6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-2-(benzotriazol-1-yl)-1-chloroethenyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(Z)-2-(benzotriazol-1-yl)-1-chloroethenyl]benzotriazole |
| MolecularFormula | C14H9N6Cl |
| Smiles | Cl/C(/n1nnc2c1cccc2)=C\n1nnc2c1cccc2 |
| InChI | InChI=1S/C14H9ClN6/c15-14(21-13-8-4-2-6-11(13)17-19-21)9-20-12-7-3-1-5-10(12)16-18-20/h1-9H |
| InChIK | AQADIRSXMFRJOP-UHFFFAOYSA-N |
| TotalMolweight | 296.72 |
| Molweight | 296.72 |
| MonoisotopicMass | 296.057721 |
| CLogP | 2.1466 |
| CLogS | -3.637 |
| H Acceptors | 6 |
| TotalSurfaceArea | 215.79 |
| Relative PSA | 0.26702 |
| PolarSurfaceArea | 61.42 |
| Druglikeness | -3.2185 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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