SMILES:
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2c(F)c(F)c(F)c(F)c2c1=OMolecular Processing
Molecular formula
C18H9F6NO3
Molecular weight
401.26
Exact mass
401.0487
XLogP
4
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
85.25
Supplementary Information
Details werden geladen…
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