N-desmethylstobadine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 6
PubChem 129833
Molecular Formula

C12H16N2

SMILES

CC1=CC2=C(C=C1)N[C@H]3[C@H]2CNCC3

InChI

InChI=1S/C12H16N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,10,12-14H,4-5,7H2,1H3/t10-,12+/m0/s1

synonyms
  • 70539-83-2
  • N-Desmethylstobadine
  • 1H-Pyrido(4,3-b)indole, 2,3,4,4a,5,9b-hexahydro-8-methyl-, trans-
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Properties
Property Value
MW 188.27 g/mol
HBD 2
HBA 2
Rotatable Bond Count 0
Exact Mass 188.131348519 g/mol
Monoisotopic Mass 188.131348519 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 216
xlogp 1.9
Topological Polar Surface Area 24.1