SMILES:
OB(O)c1ccc(Br)nc1Molecular Processing
Molecular formula
C5H5BBrNO2
Molecular weight
201.82
Exact mass
200.9597
XLogP
-0.48
TPSA
53.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.76
Supplementary Information
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