名称: solution 41
SMILES:
O=C(O)CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1Molecular Processing
Molecular formula
C16H17NO4S
Molecular weight
319.38
Exact mass
319.0878
XLogP
2.89
TPSA
83.47
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
84.27
Supplementary Information
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