SMILES:
CCOC(=O)c1cncc(Sc2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)c1Molecular Processing
Molecular formula
C18H16ClF3N2O4S
Molecular weight
448.85
Exact mass
448.0471
XLogP
4.31
TPSA
88.52
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
101.08
Supplementary Information
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