1-(5-Methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone
PubChem CID: 10335598
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| Compound Synonyms | CHEMBL491341 |
|---|---|
| Topological Polar Surface Area | 25.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(5-methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone, chloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H15ClN2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBTWRUSWHCTAMJ-UHFFFAOYSA-M |
| Fcsp3 | 0.1111111111111111 |
| Logs | -6.499 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.397 |
| Compound Name | 1-(5-Methylindolo[3,2-b]quinolin-5-ium-10-yl)ethanone, chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.087 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.087 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.113978981818182 |
| Inchi | InChI=1S/C18H15N2O.ClH/c1-12(21)20-16-10-6-4-8-14(16)18-17(20)11-13-7-3-5-9-15(13)19(18)2, /h3-11H,1-2H3, 1H/q+1, /p-1 |
| Smiles | CC(=O)N1C2=CC=CC=C2C3=[N+](C4=CC=CC=C4C=C31)C.[Cl-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients