Molecule

ID:119097

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O
Molecular Mass
210.35564
Exact Mass
210.19836545
Charge
0
InChI
InChI=1S/C14H26O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3
InChIKey
FTPUBZGARRXJIM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1CCCCCCCCCCC1
Isomeric Smiles
C(=O)(C1CCCCCCCCCCC1)C
Calculated Properties
JChem
Acid pKa
19.477036
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.887194
LogD (pH = 7.4)
4.887194
Log P
4.887194
Molar Refractivity
65.003
Polarizability
25.878538
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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