Name: solution
SMILES:
OC1(Cc2ccccc2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C15H20O3
Molecular weight
248.32
Exact mass
248.1412
XLogP
2.28
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
68.2
Supplementary Information
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