SMILES:
COc1c(C#N)cc(C(=O)O)cc1C(F)(F)FMolecular Processing
Molecular formula
C10H6F3NO3
Molecular weight
245.16
Exact mass
245.03
XLogP
2.28
TPSA
70.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
49.67
Supplementary Information
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