CCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)nc1C
名称: 2-methyl-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-nicotinic acid ethyl ester
SMILES: CCOC(=O)c1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)nc1C

Molecular Processing

Molecular formula
C17H13F6NO2
Molecular weight
377.28
Exact mass
377.085
XLogP
5.27
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
80.37

Supplementary Information

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