이름: 2-fluoro-N-(5-fluoro-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-4-nitrobenzenesulfonamide
SMILES:
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3c(cc2F)COB3O)c(F)c1Molecular Processing
Molecular formula
C13H9BF2N2O6S
Molecular weight
370.1
Exact mass
370.0242
XLogP
0.89
TPSA
118.77
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
82.66
Supplementary Information
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