CC1(C)OB(c2ccc(C#N)c(Cl)c2)OC1(C)C
SMILES: CC1(C)OB(c2ccc(C#N)c(Cl)c2)OC1(C)C

Molecular Processing

Molecular formula
C13H15BClNO2
Molecular weight
263.53
Exact mass
263.0884
XLogP
2.51
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
71.88

Supplementary Information

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