cotinine fumarate Report issue

Small molecule Experimental
AACT ChEMBL Drug Central

Back

Chemistry

Mol. Mass

468.51

ALogP

1.37

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: CN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O
  • InChIKey: NXHGVNVRWLOZDF-SZYUIZJOSA-N
    InChI=1S/2C10H12N2O.C4H4O4/c2*1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;5-3(6)1-2-4(7)8/h2*2-3,6-7,9H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-;/m00./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989573   ChEMBL
cotinine fumarate *

CHEMBL2106057   ChEMBL

Cotinine   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