SMILES:
Cc1ccc(S(=O)(=O)OCC(C)C2CCC3C(=CBr)CCCC32C)cc1Molecular Processing
Molecular formula
C21H29BrO3S
Molecular weight
441.43
Exact mass
440.1021
XLogP
5.83
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
108.66
Supplementary Information
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