이름: N-[2-(4-chlorophenylsulfonyl)ethyl]-2-propanamine hydrochloride
SMILES:
CC(C)NCCS(=O)(=O)c1ccc(Cl)cc1.ClMolecular Processing
Molecular formula
C11H17Cl2NO2S
Molecular weight
298.23
Exact mass
297.0357
XLogP
2.53
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
73.89
Supplementary Information
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