SMILES:
CCC(C)(C)c1ccc(Oc2ccc(COC)cc2C(=O)OC)c(C(C)(C)CC)c1Molecular Processing
Molecular formula
C26H36O4
Molecular weight
412.57
Exact mass
412.2614
XLogP
6.79
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
121.64
Supplementary Information
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