5-methyl-10H-indolo[3,2-b]quinolin-5-ium
PubChem CID: 446654
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL456244, SCHEMBL8483769, DR1 |
|---|---|
| Topological Polar Surface Area | 19.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-10H-indolo[3,2-b]quinolin-5-ium |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C16H13N2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | KURWKDDWCJELSV-UHFFFAOYSA-O |
| Fcsp3 | 0.0625 |
| Logs | -6.067 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.035 |
| Compound Name | 5-methyl-10H-indolo[3,2-b]quinolin-5-ium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 233.108 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 233.108 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 233.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.423411688888889 |
| Inchi | InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3/p+1 |
| Smiles | C[N+]1=C2C3=CC=CC=C3NC2=CC4=CC=CC=C41 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients