(4R)-4-methoxy-1-methyl-4H-quinoline
PubChem CID: 163040550
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 12.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-4-methoxy-1-methyl-4H-quinoline |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C11H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQMBFGYBYKOTIG-LLVKDONJSA-N |
| Fcsp3 | 0.2727272727272727 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (4R)-4-methoxy-1-methyl-4H-quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.1 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 175.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 175.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3989706615384616 |
| Inchi | InChI=1S/C11H13NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8,11H,1-2H3/t11-/m1/s1 |
| Smiles | CN1C=C[C@H](C2=CC=CC=C21)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Transmorrisonensis (Plant) Rel Props:Source_db:cmaup_ingredients