이름: hexynol
SMILES:
CCCCC#COMolecular Processing
Molecular formula
C6H10O
Molecular weight
98.14
Exact mass
98.0732
XLogP
1.51
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
29.24
Supplementary Information
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