Nombre: 2-(4-chlorophenyl)-1-(3,4-difluoro-2-hydroxy-phenyl)-4-methyl-pentane-1,3-dione
SMILES:
CC(C)C(=O)C(C(=O)c1ccc(F)c(F)c1O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C18H15ClF2O3
Molecular weight
352.76
Exact mass
352.0678
XLogP
4.52
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
86.39
Supplementary Information
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