Molecule

ID:45331

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₃
Molecular Mass
146.18426
Exact Mass
146.09429431
Charge
0
InChI
InChI=1S/C7H14O3/c1-10-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
WUZBGMQIKXKYMX-UHFFFAOYSA-N
Canonic Smiles
COCCCCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCCCOC
Calculated Properties
JChem
Acid pKa
4.8011775
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23995644
LogD (pH = 7.4)
-1.5343955
Log P
1.017344
Molar Refractivity
37.7535
Polarizability
14.867777
Polar Surface Area
46.53
Rotatable Bonds
6
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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