5-Methyl-10-prop-2-enylindolo[3,2-b]quinolin-5-ium
PubChem CID: 10598308
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| Compound Synonyms | CHEMBL491340 |
|---|---|
| Topological Polar Surface Area | 74.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-10-prop-2-enylindolo[3,2-b]quinolin-5-ium, trifluoromethanesulfonate |
| Prediction Hob | 1.0 |
| Molecular Formula | C20H17F3N2O3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZSYTIVGKOONIG-UHFFFAOYSA-M |
| Fcsp3 | 0.15 |
| Logs | -5.707 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.932 |
| Compound Name | 5-Methyl-10-prop-2-enylindolo[3,2-b]quinolin-5-ium, trifluoromethanesulfonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.091 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.775546703448276 |
| Inchi | InChI=1S/C19H17N2.CHF3O3S/c1-3-12-21-17-11-7-5-9-15(17)19-18(21)13-14-8-4-6-10-16(14)20(19)2, 2-1(3,4)8(5,6)7/h3-11,13H,1,12H2,2H3, (H,5,6,7)/q+1, /p-1 |
| Smiles | C[N+]1=C2C3=CC=CC=C3N(C2=CC4=CC=CC=C41)CC=C.C(F)(F)(F)S(=O)(=O)[O-] |
| 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