Molecule
ID:119005
General Information
Molecular Formula
C₁₃H₂₆O
Molecular Mass
198.34494
Exact Mass
198.19836545
Charge
0
InChI
InChI=1S/C13H26O/c1-2-3-4-5-6-11-13(14)12-9-7-8-10-12/h12-14H,2-11H2,1H3
InChIKey
CORUNLCJGNBWGC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(C1CCCC1)O
Isomeric Smiles
C1(C(O)CCCCCCC)CCCC1
Calculated Properties
JChem
Acid pKa
19.288223
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.313078
LogD (pH = 7.4)
4.3130784
Log P
4.3130784
Molar Refractivity
61.3531
Polarizability
24.583132
Polar Surface Area
20.23
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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