(1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID: 7334649
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| Compound Synonyms | CHEMBL4292818, BDBM50465056 |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT226 |
| Xlogp | 2.6 |
| Molecular Formula | C16H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGGSEBXTKMTNBW-CQSZACIVSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.607 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.681 |
| Compound Name | (1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 255.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.402633821052631 |
| Inchi | InChI=1S/C16H17NO2/c18-15-9-12-6-7-17-14(13(12)10-16(15)19)8-11-4-2-1-3-5-11/h1-5,9-10,14,17-19H,6-8H2/t14-/m1/s1 |
| Smiles | C1CN[C@@H](C2=CC(=C(C=C21)O)O)CC3=CC=CC=C3 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients