SMILES:
CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)OMolecular Processing
Molecular formula
C20H32O3
Molecular weight
320.47
Exact mass
320.2351
XLogP
5.3
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
95.42
Supplementary Information
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