Molecule

ID:79778

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₆O₄
Molecular Mass
398.61964
Exact Mass
398.33960995
Charge
0
InChI
InChI=1S/C24H46O4/c1-4-6-8-10-12-14-16-18-20-27-23(25)22(3)24(26)28-21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKey
KEIQGVOMWXECMZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCC)C
Isomeric Smiles
O=C(C(C(=O)OCCCCCCCCCC)C)OCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
8.098642
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.485195
LogD (pH = 7.4)
8.407735
Log P
8.4862795
Molar Refractivity
116.0597
Polarizability
46.461414
Polar Surface Area
52.6
Rotatable Bonds
22
Lipinski's Rule of Five
false
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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