1-(4-Methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
PubChem CID: 3970431
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| Compound Synonyms | CHEMBL271303, AKOS002211991, AKOS016307552 |
|---|---|
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZWDDMRVGNYDGT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -7.041 |
| Rotatable Bond Count | 2.0 |
| Logd | 6.195 |
| Compound Name | 1-(4-Methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 271.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2705591999999997 |
| Inchi | InChI=1S/C16H17NO3/c1-20-12-4-2-10(3-5-12)16-13-9-15(19)14(18)8-11(13)6-7-17-16/h2-5,8-9,16-19H,6-7H2,1H3 |
| Smiles | COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients