SMILES:
CC1CCCC(=O)C1Molecular Processing
Molecular formula
C7H12O
Molecular weight
112.17
Exact mass
112.0888
XLogP
1.77
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
32.64
Supplementary Information
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