SMILES:
CCC(C)COc1ccc(O)cc1Molecular Processing
Molecular formula
C11H16O2
Molecular weight
180.25
Exact mass
180.115
XLogP
2.82
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
53.06
Supplementary Information
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