Molecule

ID:67306

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChIKey
VZFUCHSFHOYXIS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCCC1
Isomeric Smiles
C1(CCCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.894876
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.633819
LogD (pH = 7.4)
-0.13251866
Log P
2.3347251
Molar Refractivity
38.4469
Polarizability
15.256077
Polar Surface Area
37.3
Rotatable Bonds
1
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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