Molecule

ID:79439

General Information
Structure
Molecular Formula
C₁₈H₂₆O₃
Molecular Mass
290.39724
Exact Mass
290.18819469
Charge
0
InChI
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21/h9-12H,2-8,13-14H2,1H3,(H,20,21)
InChIKey
OHBXTBNWHICXSV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)C(=O)CCC(=O)O
Isomeric Smiles
O=C(CCC(=O)c1ccc(cc1)CCCCCCCC)O
Calculated Properties
JChem
Acid pKa
4.0949802
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5626237
LogD (pH = 7.4)
1.8790703
Log P
4.9811583
Molar Refractivity
84.6023
Polarizability
32.909317
Polar Surface Area
54.37
Rotatable Bonds
11
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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