3-[(2,6-dichlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole
Formula:C16H9N4Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2,6-dichlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.
| MolName | 3-[(2,6-dichlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole |
| MolecularFormula | C16H9N4Cl2FS |
| Smiles | Fc(cc1)cc2c1[nH]c1nc(SCc(c(Cl)ccc3)c3Cl)nnc12 |
| InChI | InChI=1S/C16H9Cl2FN4S/c17-11-2-1-3-12(18)10(11)7-24-16-21-15-14(22-23-16)9-6-8(19)4-5-13(9)20-15/h1-6H,7H2,(H,20,21,23) |
| InChIK | QNABSMUIAZIDFM-UHFFFAOYSA-N |
| TotalMolweight | 379.245 |
| Molweight | 379.245 |
| MonoisotopicMass | 377.990898 |
| CLogP | 4.5455 |
| CLogS | -6.911 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.51 |
| Relative PSA | 0.25102 |
| PolarSurfaceArea | 79.76 |
| Druglikeness | -1.4125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 3-[(2,6-dichlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole | 2 - 3-[(2,6-dichlorophenyl)methylsulfanyl]-8-fluoro-5H-[1,2,4]triazino[5,6-b]indole
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