1-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID: 83352808
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| Compound Synonyms | CHEMBL4520191, SCHEMBL16970986 |
|---|---|
| Topological Polar Surface Area | 93.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGTFAVHCDMORNO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.732 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.376 |
| Compound Name | 1-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 273.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 273.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9203856 |
| Inchi | InChI=1S/C15H15NO4/c17-11-2-1-9(6-12(11)18)15-10-7-14(20)13(19)5-8(10)3-4-16-15/h1-2,5-7,15-20H,3-4H2 |
| Smiles | C1CNC(C2=CC(=C(C=C21)O)O)C3=CC(=C(C=C3)O)O |
| 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