Name: 2-(5-Trifluoromethyl-pyridin-2-yl)-benzoic acid isopropyl ester
SMILES:
CC(C)OC(=O)c1ccccc1-c1ccc(C(F)(F)F)cn1Molecular Processing
Molecular formula
C16H14F3NO2
Molecular weight
309.29
Exact mass
309.0977
XLogP
4.33
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
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
0.25
Molar refractivity
75.23
Supplementary Information
Details werden geladen…
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