Molecule

ID:134683

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
108.13068903
Exact Mass
108.1245941
Charge
0
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
ZSIAUFGUXNUGDI-IDEBNGHGSA-N
Canonic Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2]O
Isomeric Smiles
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2]O
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6944593
LogD (pH = 7.4)
1.6944593
Log P
1.6944593
Molar Refractivity
31.3369
Polarizability
12.4019375
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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