abrine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 7
PubChem 160511
Molecular Formula

C12H14N2O2

SMILES

CN[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1

synonyms
  • Abrine
  • N-Methyl-L-tryptophan
  • 526-31-8
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Properties
Property Value
MW 218.25 g/mol
HBD 3
HBA 3
Rotatable Bond Count 4
Exact Mass 218.105527694 g/mol
Monoisotopic Mass 218.105527694 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 257
xlogp -0.5
Topological Polar Surface Area 65.1