| MolName | 4-chloro-N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide |
| MolecularFormula | C30H23N3Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/[n+](c(-c1ccccc1)cc(-c1ccccc1)c1)c1-c1ccccc1 |
| InChI | InChI=1S/C30H23ClN3/c31-27-18-16-25(17-19-27)30(32)33-34-28(23-12-6-2-7-13-23)20-26(22-10-4-1-5-11-22)21-29(34)24-14-8-3-9-15-24/h1-21H,(H2,32,33)/q+1 |
| InChIK | SCMOCONSPZYQDE-UHFFFAOYSA-N |
| TotalMolweight | 460.987 |
| Molweight | 460.987 |
| MonoisotopicMass | 460.158049 |
| CLogP | 6.2573 |
| CLogS | -10.708 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 356.51 |
| Relative PSA | 0.082859 |
| PolarSurfaceArea | 42.26 |
| Druglikeness | -1.4291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-chloro-N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide | 2 - 4-chloro-N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide