SMILES:
COc1ccc(S(=O)(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2Cl)cc1Molecular Processing
Molecular formula
C18H22BClN2O5S
Molecular weight
424.72
Exact mass
424.1031
XLogP
2.84
TPSA
86.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
108.77
Supplementary Information
Details werden geladen…
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