SMILES:
CC(=O)OCCCCCC1Cc2cc(OC(C)=O)ccc2C2CCC3(C)C(=O)CCC3C12Molecular Processing
Molecular formula
C27H36O5
Molecular weight
440.58
Exact mass
440.2563
XLogP
5.39
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
121.35
Supplementary Information
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