3-(pyridin-2-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Formula:C15H11N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(pyridin-2-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.
| MolName | 3-(pyridin-2-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole |
| MolecularFormula | C15H11N5S |
| Smiles | C(c1ncccc1)Sc1nnc(c(cccc2)c2[nH]2)c2n1 |
| InChI | InChI=1S/C15H11N5S/c1-2-7-12-11(6-1)13-14(17-12)18-15(20-19-13)21-9-10-5-3-4-8-16-10/h1-8H,9H2,(H,17,18,20) |
| InChIK | WWNFPDBHVBUMSV-UHFFFAOYSA-N |
| TotalMolweight | 293.353 |
| Molweight | 293.353 |
| MonoisotopicMass | 293.073515 |
| CLogP | 2.2858 |
| CLogS | -4.354 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 218.08 |
| Relative PSA | 0.34556 |
| PolarSurfaceArea | 92.65 |
| Druglikeness | -0.1475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - 3-(pyridin-2-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole | 2 - 3-(pyridin-2-ylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
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