Molecule

ID:146910

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O₂
Molecular Mass
174.28048
Exact Mass
174.16197994
Charge
0
InChI
InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3
InChIKey
OHJYHAOODFPJOD-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COCCO)CC
Isomeric Smiles
CCCCC(CC)COCCO
Calculated Properties
JChem
Acid pKa
15.121301
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4570253
LogD (pH = 7.4)
2.4570253
Log P
2.4570253
Molar Refractivity
51.453
Polarizability
20.458063
Polar Surface Area
29.46
Rotatable Bonds
8
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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