1-Phenyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID: 176938
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| Compound Synonyms | 1-phenyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, 17579-12-3, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-phenyl-, CHEMBL429923, SCHEMBL19399588, DTXSID70938705, STK191362, AKOS002212046, AKOS016307396 |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Is Pains | True |
| Molecular Formula | C15H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BLHNHEFDFAQSIF-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 1-Phenyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.11 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 241.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 241.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.218631333333333 |
| Inchi | InChI=1S/C15H15NO2/c17-13-8-11-6-7-16-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15-18H,6-7H2 |
| Smiles | C1CNC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients