SMILES:
Cc1cc(C)cc(C(=O)C2CC2C)c1Molecular Processing
Molecular formula
C13H16O
Molecular weight
188.27
Exact mass
188.1201
XLogP
3.14
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
57.52
Supplementary Information
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