1-[(Z)-1,2-dichloroethenyl]benzotriazole
Formula:C8H5N3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-1,2-dichloroethenyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(Z)-1,2-dichloroethenyl]benzotriazole |
| MolecularFormula | C8H5N3Cl2 |
| Smiles | Cl/C=C(/n1nnc2c1cccc2)\Cl |
| InChI | InChI=1S/C8H5Cl2N3/c9-5-8(10)13-7-4-2-1-3-6(7)11-12-13/h1-5H |
| InChIK | PFPWOBYHNKNGON-UHFFFAOYSA-N |
| TotalMolweight | 214.055 |
| Molweight | 214.055 |
| MonoisotopicMass | 212.986051 |
| CLogP | 2.2604 |
| CLogS | -2.867 |
| H Acceptors | 3 |
| TotalSurfaceArea | 150.13 |
| Relative PSA | 0.1919 |
| PolarSurfaceArea | 30.71 |
| Druglikeness | -3.2185 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 1-[(Z)-1,2-dichloroethenyl]benzotriazole | 2 - 1-[(Z)-1,2-dichloroethenyl]benzotriazole
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