Name: 2-(Naphthalene-1-carbonyl)-4-oxo-4-phenyl-butyric acid ethyl ester
SMILES:
CCOC(=O)C(CC(=O)c1ccccc1)C(=O)c1cccc2ccccc12Molecular Processing
Molecular formula
C23H20O4
Molecular weight
360.41
Exact mass
360.1362
XLogP
4.47
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
103.79
Supplementary Information
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