SMILES:
COc1nc(N)ncc1B1OC(C)(C)C(C)(C)O1Molecular Processing
Molecular formula
C11H18BN3O3
Molecular weight
251.09
Exact mass
251.1441
XLogP
0.37
TPSA
79.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
68.71
Supplementary Information
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