Name: 1-pyreneboronic acid
SMILES:
OB(O)c1ccc2ccc3cccc4ccc1c2c34Molecular Processing
Molecular formula
C16H11BO2
Molecular weight
246.07
Exact mass
246.0852
XLogP
2.26
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
79.97
Supplementary Information
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