Molecule

ID:79451

General Information
Structure
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)
InChIKey
ZQLDNJKHLQOJGE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)C(=O)O
Isomeric Smiles
O=C(c1ccc(cc1)CCCCCCCC)O
Calculated Properties
JChem
Acid pKa
4.244013
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9791079
LogD (pH = 7.4)
2.2531989
Log P
5.256231
Molar Refractivity
70.5624
Polarizability
27.31022
Polar Surface Area
37.3
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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