SMILES:
CC(=O)C1C2C=CC(C2)C1(C)CMolecular Processing
Molecular formula
C11H16O
Molecular weight
164.25
Exact mass
164.1201
XLogP
2.42
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
48.69
Supplementary Information
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