SMILES:
Oc1ccc(CCOC2CCCCO2)cc1Molecular Processing
Molecular formula
C13H18O3
Molecular weight
222.28
Exact mass
222.1256
XLogP
2.48
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
61.35
Supplementary Information
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