Name: Benzyl 2-(4-chlorobenzyl)-3-ketobutyrate
SMILES:
CC(=O)C(Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C18H17ClO3
Molecular weight
316.78
Exact mass
316.0866
XLogP
3.83
TPSA
43.37
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
0.222
Molar refractivity
85.57
Supplementary Information
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