SMILES:
CCCOCC(O)CCCC(CCCc1ccc(C(=O)O)cc1)C(C)=OMolecular Processing
Molecular formula
C21H32O5
Molecular weight
364.48
Exact mass
364.225
XLogP
3.87
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
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
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
101.48
Supplementary Information
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