Название: 2-(4-Trifluoromethyl-phenyl)-nicotinic acid
SMILES:
O=C(O)c1cccnc1-c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C13H8F3NO2
Molecular weight
267.21
Exact mass
267.0507
XLogP
3.47
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
61.63
Supplementary Information
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