SMILES:
CC(C)(C)OC(=O)Cc1cc(N)ccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2Molecular Processing
Molecular formula
C19H23BN2O6S
Molecular weight
418.28
Exact mass
418.137
XLogP
1.17
TPSA
127.95
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
110.05
Supplementary Information
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