N#Cc1cncc(B(O)O)c1
Name: 5-cyano-3-pyridinyl boronic acid
SMILES: N#Cc1cncc(B(O)O)c1

Molecular Processing

Molecular formula
C6H5BN2O2
Molecular weight
147.93
Exact mass
148.0444
XLogP
-1.37
TPSA
77.14
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.78

Supplementary Information

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