SMILES:
CCCCCCCCCCOc1ccc2cc(C(=O)Oc3ccc(C(=O)O)cc3)ccc2c1Molecular Processing
Molecular formula
C28H32O5
Molecular weight
448.56
Exact mass
448.225
XLogP
7.28
TPSA
72.83
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
33
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
0.357
Molar refractivity
130.41
Supplementary Information
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