SMILES:
CC(C)CC(C(=O)O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C21H30O4
Molecular weight
346.47
Exact mass
346.2144
XLogP
4.79
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
100.01
Supplementary Information
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