SMILES:
CC(Oc1ccc(B(O)O)cc1)C(O)CCc1cccnc1Molecular Processing
Molecular formula
C16H20BNO4
Molecular weight
301.15
Exact mass
301.1485
XLogP
0.52
TPSA
82.81
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
84.92
Supplementary Information
Récupération des détails…
Impliqué dans 15 réactions→