Molecule

ID:109774

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
172.2646
Exact Mass
172.14632988
Charge
0
InChI
InChI=1S/C10H20O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h8-12H,2-7H2,1H3
InChIKey
QWTGFHHCNFIYOC-UHFFFAOYSA-N
Canonic Smiles
CCCC(C1CCCCC1O)O
Isomeric Smiles
CCCC(O)C1CCCCC1O
Calculated Properties
JChem
Acid pKa
14.569178
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6342105
LogD (pH = 7.4)
1.6342105
Log P
1.6342105
Molar Refractivity
49.1208
Polarizability
19.6566
Polar Surface Area
40.46
Rotatable Bonds
3
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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