SMILES:
COc1ccc(C(=O)C(C)c2ccccc2)c(C(=O)O)c1Molecular Processing
Molecular formula
C17H16O4
Molecular weight
284.31
Exact mass
284.1049
XLogP
3.38
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
79.14
Supplementary Information
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