Molecule

ID:106991

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O
Molecular Mass
212.37152
Exact Mass
212.21401552
Charge
0
InChI
InChI=1S/C14H28O/c1-3-5-8-12(4-2)11-13-9-6-7-10-14(13)15/h12-15H,3-11H2,1-2H3
InChIKey
NAPNXSKYWJFVIE-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC1CCCCC1O)CC
Isomeric Smiles
CCCCC(CC)CC1CCCCC1O
Calculated Properties
JChem
Acid pKa
18.902473
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.600097
LogD (pH = 7.4)
4.600097
Log P
4.600097
Molar Refractivity
65.9017
Polarizability
26.429098
Polar Surface Area
20.23
Rotatable Bonds
6
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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