이름: 1,2,3,4-tetrahydro-1-(4-methoxybenzyl)-6,7-dimethoxyisoquinoline
SMILES:
COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1Molecular Processing
Molecular formula
C19H23NO3
Molecular weight
313.4
Exact mass
313.1678
XLogP
3.14
TPSA
39.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
90.69
Supplementary Information
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