Name: 1-(2-chlorophenyl)-2-methyl-5-(2-fluoro-phenyl)-1,3,5-pentanetrione
SMILES:
CC(C(=O)CC(=O)c1ccccc1F)C(=O)c1ccccc1ClMolecular Processing
Molecular formula
C18H14ClFO3
Molecular weight
332.76
Exact mass
332.0616
XLogP
4.14
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
85.3
Supplementary Information
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