Molecule

ID:87288

General Information
Structure
Molecular Formula
C₁₈H₃₄O₄
Molecular Mass
314.46016
Exact Mass
314.24570957
Charge
0
InChI
InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
InChIKey
BNJOQKFENDDGSC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.00
LogD (pH = 5.5)
4.51
Log P
5.83
Rotatable Bonds
17
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
4.65
Polar Surface Area
74.60
Polarizability
39.66
Molar Refractivity
87.95
LOG S
-6.03
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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