BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1049
Name4-benzylisoquinoline
Pubchem ID640937
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight219.28
Exact mass219.104799
Molecular formulaC16H13N
XlogP4
Topological Polar Surface Area12.9
H-Bond Donor0
H-Bond Acceptor1
Rotational Bond Count2
IUPAC Name4-(phenylmethyl)isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC=C(C=C1)CC2=CN=CC3=CC=CC=C32
Isomeric SMILEN/A
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