radafaxine Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

255.74

ALogP

2.27

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
  • InChIKey: RCOBKSKAZMVBHT-TVQRCGJNSA-N
    InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1172928   ChEMBL
radafaxine

Radafaxine   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue