이름: 1-(3,4-Methylenedioxy-benzyl)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILES:
COc1ccc(OC)c2c1CCNC2Cc1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C19H21NO4
Molecular weight
327.38
Exact mass
327.1471
XLogP
2.86
TPSA
48.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
90.26
Supplementary Information
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