1-(Furan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID: 4749815
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| Compound Synonyms | CHEMBL404029, 1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol, STK191363, AKOS002212045, AKOS016307395 |
|---|---|
| Topological Polar Surface Area | 65.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C13H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZTRJFKQJVDNVSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -1.455 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.829 |
| Compound Name | 1-(Furan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 231.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 231.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 231.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5748797294117645 |
| Inchi | InChI=1S/C13H13NO3/c15-10-6-8-3-4-14-13(9(8)7-11(10)16)12-2-1-5-17-12/h1-2,5-7,13-16H,3-4H2 |
| Smiles | C1CNC(C2=CC(=C(C=C21)O)O)C3=CC=CO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients