Pestalachloride C
FEATURES
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NAMES
  • Pestalachloride C
SMILES
COc1c(Cl)c(C)c(Cl)c2c1[C@H]1c3c(C=O)c(O)cc(O)c3C[C@@H]1C(C)(C)O2
InChI
InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15+/m0/s1
MOLECULAR FORMULA
C21H20Cl2O5
CROSS REFERENCES
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Pestalachloride C
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight422.07
AlogP5.01
HBond donors2
HBond acceptors5
Atoms48
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Pestalachloride C.