SMILES:
CC(=O)OCC=C(C)CCc1c(C)c(O)c(C)c(C)c1OMolecular Processing
Molecular formula
C17H24O4
Molecular weight
292.38
Exact mass
292.1675
XLogP
3.47
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
82.69
Supplementary Information
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