SMILES:
CC(=O)C(CCCCCCC(=O)O)CCCC(O)COCc1ccccc1Molecular Processing
Molecular formula
C22H34O5
Molecular weight
378.51
Exact mass
378.2406
XLogP
4.36
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
16
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
105.46
Supplementary Information
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