SMILES:
COc1ccc2c(c1)CCC(=COC(=O)c1ccccc1)C2=OMolecular Processing
Molecular formula
C19H16O4
Molecular weight
308.33
Exact mass
308.1049
XLogP
3.57
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
85.59
Supplementary Information
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