SMILES:
CC(=O)OC1C(C)OC(n2cc(F)c(N)nc2=O)C1OC(C)=OMolecular Processing
Molecular formula
C13H16FN3O6
Molecular weight
329.28
Exact mass
329.1023
XLogP
-0.25
TPSA
122.74
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
73.56
Supplementary Information
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