SMILES:
CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)OC1(C)CMolecular Processing
Molecular formula
C18H21BClNO4S
Molecular weight
393.7
Exact mass
393.0973
XLogP
3.44
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
104.42
Supplementary Information
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