SMILES:
C=CCCCC(O)CCCC(CCCc1ccc(C(=O)O)cc1)C(C)=OMolecular Processing
Molecular formula
C22H32O4
Molecular weight
360.49
Exact mass
360.2301
XLogP
4.8
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
104.42
Supplementary Information
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