1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID: 177511
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| Compound Synonyms | 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline, 14919-82-5, 1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, CHEMBL298285, 1-Benzyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol, dl-1-Benzo-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline, 6,7-Isoquinolinediol, 1-benzyl-1,2,3,4-tetrahydro-, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(phenylmethyl)-, 17459-85-7, 6,7DHBnTIQ, 6,7-DHBnTIQ, 1-Bn-6,7-diOH-THIQ, SCHEMBL9592271, DTXSID10933572, BDBM50090488, STK191382, AKOS023063758, 1,2,3,4-Tetrahydroisoquinolin-6,7-diol, 1-benzyl-, 1-Benzyl-1,2,3,4-tetrahydro-6,7-isoquinolinediol # |
|---|---|
| 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 | 0.0 |
| Iupac Name | 1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGGSEBXTKMTNBW-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.055 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.762 |
| Compound Name | 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline |
| 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 |
| Smiles | C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC=C3 |
| 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