SMILES:
COc1cc(OC2CCCCO2)cc(C)c1C=OMolecular Processing
Molecular formula
C14H18O4
Molecular weight
250.29
Exact mass
250.1205
XLogP
2.72
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
67.34
Supplementary Information
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