SMILES:
CCS(=O)(=O)N(C)C1c2cc([N+](=O)[O-])ccc2OCCC1OMolecular Processing
Molecular formula
C13H18N2O6S
Molecular weight
330.36
Exact mass
330.0886
XLogP
1.06
TPSA
109.98
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
79.18
Supplementary Information
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