SMILES:
CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)c(N)c2c1=OMolecular Processing
Molecular formula
C15H13F3N2O3
Molecular weight
326.27
Exact mass
326.0878
XLogP
2.51
TPSA
74.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
76.72
Supplementary Information
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