3,4-Dihydroisoquinoline-6,7-diol
PubChem CID: 2724817
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| Compound Synonyms | 3,4-dihydroisoquinoline-6,7-diol, 4602-83-9, 6,7-DIHYDROXY-3,4-DIHYDROISOQUINOLINE, 3,4-Dihydro-6,7-isoquinolinediol, MFCD00143490, 6,7-Isoquinolinediol, 3,4-dihydro-, 3,4-Dihydro-6,7-isoquinolinediol, 3,4-Dihydro-6,7-dihydroxyisoquinoline, 6,7-Dihydroxy-3,4-dihydroisoquinoline, 7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one, SCHEMBL5190684, CHEMBL4289414, DTXSID90421366, AKOS016003118, HY-W341547, SY047209, WS-01549, DB-051348, CS-0452661, R10049 |
|---|---|
| Topological Polar Surface Area | 52.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C9H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWCQVMIYUGOTLG-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.126 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.703 |
| Compound Name | 3,4-Dihydroisoquinoline-6,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 163.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6122911999999996 |
| Inchi | InChI=1S/C9H9NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-5,11-12H,1-2H2 |
| Smiles | C1CN=CC2=CC(=C(C=C21)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