SMILES:
CC(C(=O)O)n1ncn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=OMolecular Processing
Molecular formula
C14H13F4N3O4
Molecular weight
363.27
Exact mass
363.0842
XLogP
1.96
TPSA
86.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
76.62
Supplementary Information
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