1357017 logo
Beclotiamine
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • Beclotiamine
SMILES
Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1.[Cl-]
InChI
InChI=1S/C12H16ClN4S.ClH/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);1H/q+1;/p-1
MOLECULAR FORMULA
C12H16Cl2N4S
CROSS REFERENCES
1357017 logo

Beclotiamine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 318.05
AlogP -1.14
HBond donors 2
HBond acceptors 4
Atoms 35
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.