SMILES:
CCCCN(CCCC)c1cccc2c(S(=O)(=O)NC(CC(=O)O)C(=O)O)cccc12Molecular Processing
Molecular formula
C22H30N2O6S
Molecular weight
450.56
Exact mass
450.1825
XLogP
3.45
TPSA
124.01
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
119.98
Supplementary Information
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