1-[(Z)-2-phenyl-1-pyridin-2-ylethenyl]benzotriazole
Formula:C19H14N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-2-phenyl-1-pyridin-2-ylethenyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(Z)-2-phenyl-1-pyridin-2-ylethenyl]benzotriazole |
| MolecularFormula | C19H14N4 |
| Smiles | C(c1ccccc1)=C(/c1ncccc1)\n1nnc2c1cccc2 |
| InChI | InChI=1S/C19H14N4/c1-2-8-15(9-3-1)14-19(16-10-6-7-13-20-16)23-18-12-5-4-11-17(18)21-22-23/h1-14H |
| InChIK | KZMRMZQOLWRXQK-UHFFFAOYSA-N |
| TotalMolweight | 298.348 |
| Molweight | 298.348 |
| MonoisotopicMass | 298.121846 |
| CLogP | 3.6167 |
| CLogS | -5.05 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.57 |
| Relative PSA | 0.16745 |
| PolarSurfaceArea | 43.6 |
| Druglikeness | -2.7568 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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