Molecule

ID:134750

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
174.24990968
Exact Mass
174.15303956
Charge
0
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i9+1,10+1
InChIKey
GHVNFZFCNZKVNT-OJJJIBSVSA-N
Canonic Smiles
CCCCCCCC[13CH2][13C](=O)O
Isomeric Smiles
CCCCCCCC[13CH2][13C](=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9333653
LogD (pH = 7.4)
1.1742302
Log P
3.5891707
Molar Refractivity
49.4776
Polarizability
19.6566
Polar Surface Area
37.3
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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