BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1777
NameCID633157
Pubchem ID633157
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight405.41
Exact mass405.155178
Molecular formulaC22H22F3NO3
XlogP5.2
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC(=O)C(F)(F)F)OC
Isomeric SMILEN/A
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