O=C(O)c1cc(C(=O)C2CCCCC2)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SMILES: O=C(O)c1cc(C(=O)C2CCCCC2)cc2c1OC(c1ccccc1)(c1ccccc1)O2

Molecular Processing

Molecular formula
C27H24O5
Molecular weight
428.48
Exact mass
428.1624
XLogP
5.82
TPSA
72.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
119.23

Supplementary Information

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