Название: 3-((2,2,2-trifluoroacetamido)methyl)-2,6-dimethylbenzoic acid
SMILES:
Cc1ccc(CNC(=O)C(F)(F)F)c(C)c1C(=O)OMolecular Processing
Molecular formula
C12H12F3NO3
Molecular weight
275.23
Exact mass
275.0769
XLogP
2.18
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
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
0.333
Molar refractivity
60.78
Supplementary Information
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