SMILES:
CCC(O)(C(=O)OC)c1ccnc(F)c1CMolecular Processing
Molecular formula
C11H14FNO3
Molecular weight
227.23
Exact mass
227.0958
XLogP
1.3
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
55.14
Supplementary Information
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