SMILES:
O=C1CC2(CCCCC2)Oc2ccc(O)cc21Molecular Processing
Molecular formula
C14H16O3
Molecular weight
232.28
Exact mass
232.1099
XLogP
3.06
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.5
Supplementary Information
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