Название: 1-[1-(2,6-difluorophenyl)ethyl]-1H-1,2,3-triazole-4-carboxylic acid
SMILES:
CC(c1c(F)cccc1F)n1cc(C(=O)O)nn1Molecular Processing
Molecular formula
C11H9F2N3O2
Molecular weight
253.21
Exact mass
253.0663
XLogP
1.86
TPSA
68.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
57.15
Supplementary Information
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