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Beclotiamine
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NAMES
  • Beclotiamine
SMILES
Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1
InChI
InChI=1S/C12H16ClN4S/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)/q+1
MOLECULAR FORMULA
C12H16ClN4S+
CROSS REFERENCES
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Beclotiamine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 283.08
AlogP 1.85
HBond donors 2
HBond acceptors 4
Atoms 34
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Beclotiamine.