SMILES:
CCN(C)C[C@H]1COc2c(Cl)cc(S(C)(=O)=O)cc2O1Molecular Processing
Molecular formula
C13H18ClNO4S
Molecular weight
319.81
Exact mass
319.0645
XLogP
1.83
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
77.64
Supplementary Information
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