SMILES:
C1CCC2OC2CC1Molecular Processing
Molecular formula
C7H12O
Molecular weight
112.17
Exact mass
112.0888
XLogP
1.72
TPSA
12.53
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
31.75
Supplementary Information
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