SMILES:
CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)c(C2CC2)cc1C#NMolecular Processing
Molecular formula
C21H21BN2O5
Molecular weight
392.22
Exact mass
392.1544
XLogP
2.59
TPSA
101.67
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.25
Supplementary Information
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