2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetonitrile
Formula:C11H7N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetonitrile is a drug-like molecule.
| MolName | 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetonitrile |
| MolecularFormula | C11H7N5S |
| Smiles | N#CCSc1nnc(c(cccc2)c2[nH]2)c2n1 |
| InChI | InChI=1S/C11H7N5S/c12-5-6-17-11-14-10-9(15-16-11)7-3-1-2-4-8(7)13-10/h1-4H,6H2,(H,13,14,16) |
| InChIK | KYTYZFXPOYQWQP-UHFFFAOYSA-N |
| TotalMolweight | 241.278 |
| Molweight | 241.278 |
| MonoisotopicMass | 241.042215 |
| CLogP | 1.4911 |
| CLogS | -3.924 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 181.27 |
| Relative PSA | 0.43002 |
| PolarSurfaceArea | 103.55 |
| Druglikeness | -4.4275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetonitrile | 2 - 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetonitrile
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