SMILES:
CCN(CC)CC#Cc1cc(C(F)(F)F)ccc1C=CC(=O)OMolecular Processing
Molecular formula
C17H18F3NO2
Molecular weight
325.33
Exact mass
325.129
XLogP
3.5
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
23
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
0.353
Molar refractivity
82.78
Supplementary Information
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