SMILES:
Cc1cc(O)ccc1B1OC(C)(C)C(C)(C)O1Molecular Processing
Molecular formula
C13H19BO3
Molecular weight
234.1
Exact mass
234.1427
XLogP
2
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
68.56
Supplementary Information
Details werden geladen…
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