Nombre: 5-(4-cyano-2-formylphenoxy)-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
SMILES:
N#Cc1ccc(Oc2ccc3c(c2)COB3O)c(C=O)c1Molecular Processing
Molecular formula
C15H10BNO4
Molecular weight
279.06
Exact mass
279.0703
XLogP
1.38
TPSA
79.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
75.46
Supplementary Information
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