Molecule

ID:108411

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₂O₄
Molecular Mass
370.56648
Exact Mass
370.30830982
Charge
0
InChI
InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey
DGXRZJSPDXZJFG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.77
LogD (pH = 5.5)
6.29
Log P
7.60
Rotatable Bonds
21
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
4.65
Polar Surface Area
74.60
Polarizability
48.21
Molar Refractivity
106.35
LOG S
-7.99
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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