SMILES:
COCCNC[C@H]1COc2c(Cl)cc(S(C)(=O)=O)cc2O1Molecular Processing
Molecular formula
C13H18ClNO5S
Molecular weight
335.81
Exact mass
335.0594
XLogP
1.12
TPSA
73.86
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
79.22
Supplementary Information
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