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Tetrodotoxin
FEATURES
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NAMES
  • 9SR
  • Tetrodotoxin
  • tettrodotoxin
SMILES
NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO
InChI
InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
MOLECULAR FORMULA
C11H17N3O8
CROSS REFERENCES
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Tetrodotoxin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 319.10
AlogP -5.52
HBond donors 9
HBond acceptors 11
Atoms 39
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Tetrodotoxin.