Norjuziphine, (S)-
PubChem CID: 15690956
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| Compound Synonyms | Norjuziphine, (S)-, (+)-Norjusiphine, (+)-Norjuziphine, Norjuziphine, (+)-, UA38P7QT71, UNII-UA38P7QT71, 91928-30-2, (1S)-norjuziphine, (1S)-1,2,3,4-Tetrahydro-1-((4-hydroxyphenyl)methyl)-7-methoxy-8-isoquinolinol, 8-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-7-methoxy-, (1S)-, CHEMBL462757 |
|---|---|
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BXWMZVREXWPYKF-AWEZNQCLSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -1.82 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.085 |
| Compound Name | Norjuziphine, (S)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 285.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 285.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.459383742857143 |
| Inchi | InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1 |
| Smiles | COC1=C(C2=C(CCN[C@H]2CC3=CC=C(C=C3)O)C=C1)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nectandra Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients