1,2,3,4-Tetrahydro-1-(1-naphthalenyl)-6,7-isoquinolinediol
PubChem CID: 3521513
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| Compound Synonyms | CHEMBL405712, 1,2,3,4-Tetrahydro-1-(1-naphthalenyl)-6,7-isoquinolinediol, DTXSID501191841, 596791-53-6 |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H17NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXQFYDXFCIUBMQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.418 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.333 |
| Compound Name | 1,2,3,4-Tetrahydro-1-(1-naphthalenyl)-6,7-isoquinolinediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 291.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.361351818181817 |
| Inchi | InChI=1S/C19H17NO2/c21-17-10-13-8-9-20-19(16(13)11-18(17)22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,10-11,19-22H,8-9H2 |
| Smiles | C1CNC(C2=CC(=C(C=C21)O)O)C3=CC=CC4=CC=CC=C43 |
| 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