Name: 5-(2-chlorophenyl)-2-methyl-1-phenyl-1,3,5-pentanetrione
SMILES:
CC(C(=O)CC(=O)c1ccccc1Cl)C(=O)c1ccccc1Molecular Processing
Molecular formula
C18H15ClO3
Molecular weight
314.77
Exact mass
314.071
XLogP
4
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
85.34
Supplementary Information
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