SMILES:
CCCCC12CCCC(=O)C(C)=C1c1ccc(OCOC)cc1C2Molecular Processing
Molecular formula
C21H28O3
Molecular weight
328.45
Exact mass
328.2038
XLogP
4.93
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
96.06
Supplementary Information
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