CC(CC(=O)ON1C(=O)CCC1=O)N(C)C.Cc1ccc(S(=O)(=O)O)cc1
SMILES: CC(CC(=O)ON1C(=O)CCC1=O)N(C)C.Cc1ccc(S(=O)(=O)O)cc1

Molecular Processing

Molecular formula
C17H24N2O7S
Molecular weight
400.45
Exact mass
400.1304
XLogP
1.18
TPSA
121.29
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.471
Molar refractivity
95.94

Supplementary Information

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