Molecule

ID:79596

General Information
Structure
Molecular Formula
C₁₈H₂₆O₄
Molecular Mass
306.39664
Exact Mass
306.18310931
Charge
0
InChI
InChI=1S/C18H26O4/c1-2-3-4-5-6-7-14-22-16-10-8-15(9-11-16)17(19)12-13-18(20)21/h8-11H,2-7,12-14H2,1H3,(H,20,21)
InChIKey
SLXMWMVPAKQKJT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOc1ccc(cc1)C(=O)CCC(=O)O
Isomeric Smiles
O=C(CCC(=O)c1ccc(cc1)OCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
3.6243167
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.428364
LogD (pH = 7.4)
0.96585995
Log P
4.3002586
Molar Refractivity
86.0949
Polarizability
33.66527
Polar Surface Area
63.6
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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