SMILES:
CC(=O)C(Cc1cccc(CC(C(C)=O)C(C)=O)c1)C(C)=OMolecular Processing
Molecular formula
C18H22O4
Molecular weight
302.37
Exact mass
302.1518
XLogP
2.36
TPSA
68.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
83.55
Supplementary Information
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