名称: 1-[(6-bromo-2-pyridyl)methyl]-4-(2,3-methylenedioxyphenethyl)piperidine
SMILES:
Brc1cccc(CN2CCC(CCc3cccc4c3OCO4)CC2)n1Molecular Processing
Molecular formula
C20H23BrN2O2
Molecular weight
403.32
Exact mass
402.0943
XLogP
4.42
TPSA
34.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
100.82
Supplementary Information
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