SMILES:
COC(=O)CCCC=CCC1C(=O)CCC1c1ccc(C(O)C2CCCCC2)cc1Molecular Processing
Molecular formula
C26H36O4
Molecular weight
412.57
Exact mass
412.2614
XLogP
5.65
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
118.07
Supplementary Information
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