SMILES:
COc1ccc(S(=O)(=O)C2(C(=O)O)CCN(C3CCCCCCC3)CC2)cc1Molecular Processing
Molecular formula
C21H31NO5S
Molecular weight
409.55
Exact mass
409.1923
XLogP
3.5
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
107.46
Supplementary Information
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