SMILES:
CC(C)CNCC1COc2ccc(S(C)(=O)=O)cc2O1Molecular Processing
Molecular formula
C14H21NO4S
Molecular weight
299.39
Exact mass
299.1191
XLogP
1.48
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
77.17
Supplementary Information
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