1-(2-fluorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
Formula:C17H11N4OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2-fluorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone is a drug-like molecule.
| MolName | 1-(2-fluorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone |
| MolecularFormula | C17H11N4OFS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)c(cccc1)c1F |
| InChI | InChI=1S/C17H11FN4OS/c18-12-7-3-1-5-10(12)14(23)9-24-17-20-16-15(21-22-17)11-6-2-4-8-13(11)19-16/h1-8H,9H2,(H,19,20,22) |
| InChIK | JXXJNWFDGKELKL-UHFFFAOYSA-N |
| TotalMolweight | 338.365 |
| Molweight | 338.365 |
| MonoisotopicMass | 338.063759 |
| CLogP | 2.8999 |
| CLogS | -5.406 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.42 |
| Relative PSA | 0.31809 |
| PolarSurfaceArea | 96.83 |
| Druglikeness | -0.76203 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-(2-fluorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone | 2 - 1-(2-fluorophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
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