SMILES:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc([B-]45OCC(C)(CO4)CO5)c(Cl)c3)S(C)(=O)=O)c(C3CC3)cc12.[K+]Molecular Processing
Molecular formula
C31H30BClFKN2O7S
Molecular weight
679.02
Exact mass
678.1176
XLogP
2.46
TPSA
107.31
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
45
Rings
8
Aromatic rings
4
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.323
Molar refractivity
166.76
Supplementary Information
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