Molecule

ID:87231

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKey
JJMDTERTPNYIGZ-UHFFFAOYSA-N
Canonic Smiles
O=CCC1CCCCC1
Isomeric Smiles
O=CCC1CCCCC1
Calculated Properties
JChem
Acid pKa
15.951097
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9201417
LogD (pH = 7.4)
1.9201417
Log P
1.9201417
Molar Refractivity
37.4956
Polarizability
14.80832
Polar Surface Area
17.07
Rotatable Bonds
2
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
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References
Bioactivity
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