SMILES:
CCc1ccc(CC(C)=O)cc1Molecular Processing
Molecular formula
C11H14O
Molecular weight
162.23
Exact mass
162.1045
XLogP
2.38
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
50.21
Supplementary Information
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