Name: 2-chloro-4-fluoro-5-[2-methoxy-6 -oxo-4-trifluoromethyl-1(6H)-pyrimidinyl]-benzoic acid
SMILES:
COc1nc(C(F)(F)F)cc(=O)n1-c1cc(C(=O)O)c(Cl)cc1FMolecular Processing
Molecular formula
C13H7ClF4N2O4
Molecular weight
366.65
Exact mass
366.003
XLogP
2.75
TPSA
81.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
73.32
Supplementary Information
Details werden geladen…
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