SMILES:
CC(C)(C)OC(=O)NC1(c2ncc[nH]2)CCC1.OBOMolecular Processing
Molecular formula
C12H22BN3O4
Molecular weight
283.14
Exact mass
283.1703
XLogP
0.55
TPSA
107.47
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.667
Molar refractivity
75.07
Supplementary Information
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