SMILES:
CC(C)Oc1ccccc1-c1cc(=O)c2cc(C(=O)O)ccc2o1Molecular Processing
Molecular formula
C19H16O5
Molecular weight
324.33
Exact mass
324.0998
XLogP
3.95
TPSA
76.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
90.64
Supplementary Information
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