SMILES:
COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12Molecular Processing
Molecular formula
C22H25BClFN2O3
Molecular weight
430.72
Exact mass
430.1631
XLogP
4.82
TPSA
56.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
117.29
Supplementary Information
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