8-fluoro-3-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Formula:C16H10N4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-fluoro-3-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.
| MolName | 8-fluoro-3-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole |
| MolecularFormula | C16H10N4F2S |
| Smiles | Fc1ccc(CSc2nnc(c(cc(cc3)F)c3[nH]3)c3n2)cc1 |
| InChI | InChI=1S/C16H10F2N4S/c17-10-3-1-9(2-4-10)8-23-16-20-15-14(21-22-16)12-7-11(18)5-6-13(12)19-15/h1-7H,8H2,(H,19,20,22) |
| InChIK | XNMJUDDEXLFQGF-UHFFFAOYSA-N |
| TotalMolweight | 328.345 |
| Molweight | 328.345 |
| MonoisotopicMass | 328.059422 |
| CLogP | 3.4343 |
| CLogS | -5.753 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.02 |
| Relative PSA | 0.27752 |
| PolarSurfaceArea | 79.76 |
| Druglikeness | -1.4875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 8-fluoro-3-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole | 2 - 8-fluoro-3-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
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