이름: 4-(5-difluoromethoxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid ethyl ester
SMILES:
CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2OC(F)F)cc1Molecular Processing
Molecular formula
C14H11F5N2O3
Molecular weight
350.24
Exact mass
350.069
XLogP
3.67
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
71.15
Supplementary Information
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