SMILES:
COC(=O)CSc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C20H14ClF4N3O5S
Molecular weight
519.86
Exact mass
519.0279
XLogP
3.8
TPSA
92.42
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
114.3
Supplementary Information
Details werden geladen…
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