이름: N-[5-bromo-2-(methyloxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILES:
COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1FMolecular Processing
Molecular formula
C12H9BrF2N2O3S
Molecular weight
379.18
Exact mass
377.9485
XLogP
2.93
TPSA
68.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
75.66
Supplementary Information
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