Molecule

ID:11116

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-6H2,1H3
InChIKey
JBLNBMHKAAHKDC-UHFFFAOYSA-N
Canonic Smiles
CC(CCC1CCCO1)O
Isomeric Smiles
O1C(CCC(O)C)CCC1
Calculated Properties
JChem
Acid pKa
15.659765
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8939094
LogD (pH = 7.4)
0.8939094
Log P
0.8939094
Molar Refractivity
40.4448
Polarizability
16.049152
Polar Surface Area
29.46
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
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References
Bioactivity
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