SMILES:
OB1OCc2cc(Cl)ccc21Molecular Processing
Molecular formula
C7H6BClO2
Molecular weight
168.39
Exact mass
168.0149
XLogP
0.56
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
43.85
Supplementary Information
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