이름: 5-chloro-2-(2,3-dimethoxypropoxy)-6-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)nicotinonitrile
SMILES:
COCC(COc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#N)OCMolecular Processing
Molecular formula
C18H18BClN2O6
Molecular weight
404.62
Exact mass
404.0946
XLogP
1.66
TPSA
103.06
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
101.04
Supplementary Information
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