SMILES:
O=CC1(c2ccccc2)CCCC2(C1)OCCO2Molecular Processing
Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.44
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
67.29
Supplementary Information
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