OB(O)c1cccc2c1ccc1cc3ccccc3cc12
Name: benz[a]anthracene-4-boronic acid
SMILES: OB(O)c1cccc2c1ccc1cc3ccccc3cc12

Molecular Processing

Molecular formula
C18H13BO2
Molecular weight
272.11
Exact mass
272.1009
XLogP
2.83
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
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
88.79

Supplementary Information

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