SMILES:
Cc1nc(C(F)(F)F)ccc1C(=O)OC1=CC(=O)C2CCC1C2Molecular Processing
Molecular formula
C16H14F3NO3
Molecular weight
325.29
Exact mass
325.0926
XLogP
3.45
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
73.31
Supplementary Information
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