COc1cccc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1
SMILES: COc1cccc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1

Molecular Processing

Molecular formula
C21H26BNO4
Molecular weight
367.25
Exact mass
367.1955
XLogP
3.56
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
107.84

Supplementary Information

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