2,9,17-triaza-11-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
Formula:C13H9N4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2,9,17-triaza-11-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is a drug-like molecule.
| MolName | 2,9,17-triaza-11-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene |
| MolecularFormula | C13H9N4 |
| Smiles | c(cc1)cc2[n+]1c1nc3ccccc3nc1[nH]2 |
| InChI | InChI=1S/C13H8N4/c1-2-6-10-9(5-1)14-12-13(15-10)17-8-4-3-7-11(17)16-12/h1-8H/p+1 |
| InChIK | HWQAREWPJPBYRJ-UHFFFAOYSA-O |
| TotalMolweight | 221.242 |
| Molweight | 221.242 |
| MonoisotopicMass | 221.082721 |
| CLogP | 1.4787 |
| CLogS | -5.789 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 140.28 |
| Relative PSA | 0.12226 |
| PolarSurfaceArea | 45.67 |
| Druglikeness | -1.5004 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2,9,17-triaza-11-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene | 2 - 2,9,17-triaza-11-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
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