Molecule

ID:8000

General Information
Structure
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey
NKBWMBRPILTCRD-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C(=O)O)C
Isomeric Smiles
CC(C(=O)O)CCCCC
Calculated Properties
JChem
Acid pKa
5.148228
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2871404
LogD (pH = 7.4)
0.56658304
Log P
2.7984512
Molar Refractivity
40.2491
Polarizability
15.977569
Polar Surface Area
37.3
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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