Molecule

ID:2647

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
MNWFXJYAOYHMED-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(=O)O
Isomeric Smiles
CCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.02
LogD (pH = 5.5)
1.74
Log P
2.26
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.15
Polar Surface Area
37.30
Polarizability
15.32
Molar Refractivity
35.67
LOG S
-1.95
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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