SMILES:
CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(-c2ccc(B(O)O)cc2)o1Molecular Processing
Molecular formula
C17H22BN3O5
Molecular weight
359.19
Exact mass
359.1653
XLogP
1.49
TPSA
108.92
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
94.47
Supplementary Information
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