SMILES:
CCCC(CC)COMolecular Processing
Molecular formula
C7H16O
Molecular weight
116.2
Exact mass
116.1201
XLogP
1.81
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
35.77
Supplementary Information
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