Molecule

ID:103342

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄O₆
Molecular Mass
370.48036
Exact Mass
370.23553881
Charge
0
InChI
InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)
InChIKey
KFGOFTHODYBSGM-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(/C=C/C1C(O)CC(C1CC(=O)CCCCC(=O)O)O)O
Isomeric Smiles
CCCCCC(O)/C=C/C1C(O)CC(O)C1CC(=O)CCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.1439457
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
0.4218853
LogD (pH = 7.4)
-1.277044
Log P
1.7937584
Molar Refractivity
99.9955
Polarizability
39.079044
Polar Surface Area
115.06
Rotatable Bonds
13
Lipinski's Rule of Five
true
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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