SMILES:
C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2CCCOC)cc(F)c1NS(C)(=O)=OMolecular Processing
Molecular formula
C23H23F4N3O4S
Molecular weight
513.51
Exact mass
513.1345
XLogP
3.5
TPSA
97.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
123.12
Supplementary Information
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