SMILES:
CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Cl)cc21Molecular Processing
Molecular formula
C13H15BClNO4
Molecular weight
295.53
Exact mass
295.0783
XLogP
1.76
TPSA
71.69
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
78.41
Supplementary Information
Details werden geladen…
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