2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Formula:C11H8N5OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C11H8N5OFS |
| Smiles | NC(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)=O |
| InChI | InChI=1S/C11H8FN5OS/c12-5-1-2-7-6(3-5)9-10(14-7)15-11(17-16-9)19-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,15,17) |
| InChIK | OUXGMHJAKYWVBQ-UHFFFAOYSA-N |
| TotalMolweight | 277.283 |
| Molweight | 277.283 |
| MonoisotopicMass | 277.043358 |
| CLogP | 0.6722 |
| CLogS | -3.641 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 192.18 |
| Relative PSA | 0.48236 |
| PolarSurfaceArea | 122.85 |
| Druglikeness | -0.62863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | 2 - 2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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