SMILES:
CCCCC1CO1Molecular Processing
Molecular formula
C6H12O
Molecular weight
100.16
Exact mass
100.0888
XLogP
1.58
TPSA
12.53
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
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
1
Molar refractivity
29.26
Supplementary Information
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