Name: 4-(2,4,6-trifluoro-benzoyl)-1H-pyrrole-2-carboxylic acid
SMILES:
O=C(O)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1Molecular Processing
Molecular formula
C12H6F3NO3
Molecular weight
269.18
Exact mass
269.03
XLogP
2.36
TPSA
70.16
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
57.5
Supplementary Information
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