SMILES:
c1ccc2c(c1)OCC21CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.63
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
66.72
Supplementary Information
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