SMILES:
CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H28BN3O7
Molecular weight
457.29
Exact mass
457.202
XLogP
2.9
TPSA
114.95
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
120.46
Supplementary Information
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