Molecule

ID:109705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
172.2646
Exact Mass
172.14632988
Charge
0
InChI
InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
InChIKey
WOYWLLHHWAMFCB-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)C)CC
Isomeric Smiles
CCCCC(CC)COC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.95
LogD (pH = 5.5)
2.95
Log P
2.95
Rotatable Bonds
7
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.99
Polar Surface Area
26.30
Polarizability
21.02
Molar Refractivity
49.56
LOG S
-3.02
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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