Monocrotaline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 394
Total Number of Articles : 436
PubChem 9415
Molecular Formula

C16H23NO6

SMILES

C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O

InChI

InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1

synonyms
  • monocrotaline
  • Crotaline
  • 315-22-0
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Properties
Property Value
MW 325.36 g/mol
HBD 2
HBA 7
Rotatable Bond Count 0
Exact Mass 325.15253745 g/mol
Monoisotopic Mass 325.15253745 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 575
xlogp -0.7
Topological Polar Surface Area 96.3