gne

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 23
Total Number of Articles : 21
PubChem 71655070
Molecular Formula

C22H30N2O5

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C22H30N2O5/c1-24-16-11-12-17(24)20(21(27)23-13-7-3-6-10-19(25)26)18(14-16)29-22(28)15-8-4-2-5-9-15/h2,4-5,8-9,16-18,20H,3,6-7,10-14H2,1H3,(H,23,27)(H,25,26)/t16-,17+,18-,20+/m0/s1

synonyms
  • GNE hapten
  • hapten GNE
  • cocaine analog GNE
Click to show/hide the synonyms
Properties
Property Value
MW 402.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 10
Exact Mass 402.21547206 g/mol
Monoisotopic Mass 402.21547206 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 590
xlogp 0
Topological Polar Surface Area 95.9