5-methyl-10H-indolo[3,2-b]quinolin-5-ium
PubChem CID: 10317739
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| Compound Synonyms | 5-methyl-10H-indolo[3,2-b]quinolin-5-ium, trifluoromethanesulfonate, CHEMBL172017, 5-N-Methylquindolinium Triflate, HYOKZJAQCIHROV-UHFFFAOYSA-N, Cryptolepine trifloromethylsulfonate, 5-Methyl-10H-indolo[3,2-b]quinolin-5-ium trifluoromethanesulfonate, 241470-31-5 |
|---|---|
| Topological Polar Surface Area | 85.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-10H-indolo[3,2-b]quinolin-5-ium, trifluoromethanesulfonate |
| Prediction Hob | 1.0 |
| Molecular Formula | C17H13F3N2O3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | HYOKZJAQCIHROV-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -6.067 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.035 |
| Compound Name | 5-methyl-10H-indolo[3,2-b]quinolin-5-ium, trifluoromethanesulfonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.06 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.06 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.161096753846154 |
| Inchi | InChI=1S/C16H12N2.CHF3O3S/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14, 2-1(3,4)8(5,6)7/h2-10H,1H3, (H,5,6,7) |
| Smiles | C[N+]1=C2C3=CC=CC=C3NC2=CC4=CC=CC=C41.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