SMILES:
CCCCc1nc(C(F)(F)F)ccc1C=CC(=O)OMolecular Processing
Molecular formula
C13H14F3NO2
Molecular weight
273.25
Exact mass
273.0977
XLogP
3.54
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.52
Supplementary Information
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