Molecule

ID:109517

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈O
Molecular Mass
200.36082
Exact Mass
200.21401552
Charge
0
InChI
InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
InChIKey
HKOLRKVMHVYNGG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(O)C
Isomeric Smiles
CCCCCCCCCCCC(C)O
Calculated Properties
JChem
Acid pKa
17.683062
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.778446
LogD (pH = 7.4)
4.778446
Log P
4.778446
Molar Refractivity
63.3617
Polarizability
25.321913
Polar Surface Area
20.23
Rotatable Bonds
10
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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