8-chloro-3-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Formula:C15H9N3ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-chloro-3-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is a drug-like molecule.
| MolName | 8-chloro-3-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine |
| MolecularFormula | C15H9N3ClF3 |
| Smiles | FC(c(cc1Cl)cn2c1nnc2/C=C/c1ccccc1)(F)F |
| InChI | InChI=1S/C15H9ClF3N3/c16-12-8-11(15(17,18)19)9-22-13(20-21-14(12)22)7-6-10-4-2-1-3-5-10/h1-9H |
| InChIK | BWLZUNQBGJWGBS-UHFFFAOYSA-N |
| TotalMolweight | 323.704 |
| Molweight | 323.704 |
| MonoisotopicMass | 323.043708 |
| CLogP | 3.7626 |
| CLogS | -5.966 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.17 |
| Relative PSA | 0.13158 |
| PolarSurfaceArea | 30.19 |
| Druglikeness | -4.8075 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 8-chloro-3-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine | 2 - 8-chloro-3-[(E)-2-phenylethenyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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