1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium
Formula:C17H11N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium |
| MolecularFormula | C17H11N3Cl |
| Smiles | Clc(cc1)ccc1-c1ncn[n+]2ccc(cccc3)c3c12 |
| InChI | InChI=1S/C17H11ClN3/c18-14-7-5-13(6-8-14)16-17-15-4-2-1-3-12(15)9-10-21(17)20-11-19-16/h1-11H/q+1 |
| InChIK | HLEXIAIEDKJFEL-UHFFFAOYSA-N |
| TotalMolweight | 292.748 |
| Molweight | 292.748 |
| MonoisotopicMass | 292.064149 |
| CLogP | 3.6457 |
| CLogS | -5.48 |
| H Acceptors | 3 |
| TotalSurfaceArea | 191.29 |
| Relative PSA | 0.016519 |
| PolarSurfaceArea | 29.88 |
| Druglikeness | -1.9505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium | 2 - 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium
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