5,8-Dimethylquinoline
PubChem CID: 17502
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| Compound Synonyms | 5,8-DIMETHYLQUINOLINE, 2623-50-9, Quinoline, 5,8-dimethyl-, EINECS 220-078-1, DTXSID10180867, 5,8-dimethyl-quinoline, SCHEMBL812451, DTXCID50103358, AKOS006371968, NS00028062, Q63395495, 220-078-1 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dimethylquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C11H11N |
| Prediction Swissadme | 0.0 |
| Inchi Key | VVLZEQKZPNOPNS-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.889 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.822 |
| Compound Name | 5,8-Dimethylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 157.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.296205866666667 |
| Inchi | InChI=1S/C11H11N/c1-8-5-6-9(2)11-10(8)4-3-7-12-11/h3-7H,1-2H3 |
| Smiles | CC1=C2C=CC=NC2=C(C=C1)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients