Molecule

ID:59462

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O₂
Molecular Mass
224.33916
Exact Mass
224.17763001
Charge
0
InChI
InChI=1S/C14H24O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,15,16)
InChIKey
PGGMEZOUAPIYOY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C1CCCCC1)C1CCCCC1
Isomeric Smiles
C(=O)(C(C1CCCCC1)C1CCCCC1)O
Calculated Properties
JChem
Acid pKa
4.9812193
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5900626
LogD (pH = 7.4)
1.835297
Log P
4.223312
Molar Refractivity
64.1459
Polarizability
25.565649
Polar Surface Area
37.3
Rotatable Bonds
3
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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