名称: 1-chloro-2-[N-(3,4-dimethoxyphenethyl)-N-methylamino]ethane
SMILES:
COc1ccc(CCN(C)CCCl)cc1OCMolecular Processing
Molecular formula
C13H20ClNO2
Molecular weight
257.76
Exact mass
257.1183
XLogP
2.42
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
71.47
Supplementary Information
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