SMILES:
CCON=C(CC)C1=C(O)CC(c2c(C)cc(C)c(S(N)(=O)=O)c2C)CC1=OMolecular Processing
Molecular formula
C20H28N2O5S
Molecular weight
408.52
Exact mass
408.1719
XLogP
3.32
TPSA
119.05
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
108.02
Supplementary Information
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