이름: 5-chloro-6-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)-2-(2-isopropoxyethoxy)nicotinonitrile
SMILES:
CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#NMolecular Processing
Molecular formula
C18H18BClN2O5
Molecular weight
388.62
Exact mass
388.0997
XLogP
2.42
TPSA
93.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
99.46
Supplementary Information
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