SMILES:
O=[N+]([O-])c1ccc(Cl)c(B(O)O)c1Molecular Processing
Molecular formula
C6H5BClNO4
Molecular weight
201.37
Exact mass
201
XLogP
-0.07
TPSA
83.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.93
Supplementary Information
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