SMILES:
COCCCc1cc(CCCOC)cc(C(=O)OC)c1Molecular Processing
Molecular formula
C16H24O4
Molecular weight
280.36
Exact mass
280.1675
XLogP
2.63
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
20
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
0.562
Molar refractivity
78.18
Supplementary Information
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