Molecule

ID:131675

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₃
Molecular Mass
188.264
Exact Mass
188.1412445
Charge
0
InChI
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKey
GHPVDCPCKSNJDR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(C(=O)O)O
Isomeric Smiles
CCCCCCCCC(C(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.28
LogD (pH = 5.5)
1.45
Log P
2.72
Rotatable Bonds
8
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.26
Polar Surface Area
57.53
Polarizability
22.38
Molar Refractivity
50.97
LOG S
-3.25
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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