11-Hydroxymethylquindoline
PubChem CID: 10800565
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 11-Hydroxymethylquindoline, CHEMBL449560, SCHEMBL3519493 |
|---|---|
| Topological Polar Surface Area | 48.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10H-indolo[3,2-b]quinolin-11-ylmethanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWJZVUQGEMKOJB-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.441 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.099 |
| Compound Name | 11-Hydroxymethylquindoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7772722631578945 |
| Inchi | InChI=1S/C16H12N2O/c19-9-12-10-5-1-3-7-13(10)17-15-11-6-2-4-8-14(11)18-16(12)15/h1-8,18-19H,9H2 |
| Smiles | C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)CO |
| 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