irdabisant Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

313.4

ALogP

2.69

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1
  • InChIKey: XUKROCVZGZNGSI-CQSZACIVSA-N
    InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1829335   ChEMBL
irdabisant

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