이름: 3-[N-(2-(3,4-di-methoxyphenyl)-ethyl)-N-methylamino]-propylchloride
SMILES:
COc1ccc(CCN(C)CCCCl)cc1OCMolecular Processing
Molecular formula
C14H22ClNO2
Molecular weight
271.79
Exact mass
271.1339
XLogP
2.81
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
18
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
0.571
Molar refractivity
76.08
Supplementary Information
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