SMILES:
COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)O)c1Molecular Processing
Molecular formula
C21H16O4
Molecular weight
332.36
Exact mass
332.1049
XLogP
4.29
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
95.26
Supplementary Information
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