SMILES:
COC(CC#CCCCC(OC)(OC)OC)c1ccco1Molecular Processing
Molecular formula
C16H24O5
Molecular weight
296.36
Exact mass
296.1624
XLogP
3.12
TPSA
50.06
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
78.46
Supplementary Information
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