1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
Formula:C18H11N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline |
| MolecularFormula | C18H11N4F3 |
| Smiles | FC(c1nc(cccc2)c2n2c1nnc2/C=C/c1ccccc1)(F)F |
| InChI | InChI=1S/C18H11F3N4/c19-18(20,21)16-17-24-23-15(11-10-12-6-2-1-3-7-12)25(17)14-9-5-4-8-13(14)22-16/h1-11H |
| InChIK | WVMCQDGCEIFSAW-UHFFFAOYSA-N |
| TotalMolweight | 340.307 |
| Molweight | 340.307 |
| MonoisotopicMass | 340.09358 |
| CLogP | 3.6491 |
| CLogS | -5.855 |
| H Acceptors | 4 |
| TotalSurfaceArea | 245.11 |
| Relative PSA | 0.1667 |
| PolarSurfaceArea | 43.08 |
| Druglikeness | -7.6 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline | 2 - 1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
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