Molecule

ID:89685

General Information
Structure
Molecular Formula
C₇H₁₂O₃
Molecular Mass
144.16838
Exact Mass
144.07864424
Charge
0
InChI
InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
IZOQMUVIDMLRDC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCC(=O)C
Calculated Properties
JChem
Acid pKa
4.5920215
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.13727373
LogD (pH = 7.4)
-1.9128656
Log P
0.8202799
Molar Refractivity
36.2901
Polarizability
14.260973
Polar Surface Area
54.37
Rotatable Bonds
5
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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