ibogaine Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

310.44

ALogP

3.94

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13
  • InChIKey: HSIBGVUMFOSJPD-NXWOVTFFSA-N
    InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL222287   ChEMBL
ibogaine

Ibogaine   Wikipedia

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