Molecule

ID:103493

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₄
Molecular Mass
334.4498
Exact Mass
334.21440944
Charge
0
InChI
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)
InChIKey
MYHXHCUNDDAEOZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O)O
Isomeric Smiles
CCCCCC(O)/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4020348
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.2462447
LogD (pH = 7.4)
1.4895177
Log P
4.375951
Molar Refractivity
99.0899
Polarizability
37.313618
Polar Surface Area
74.6
Rotatable Bonds
12
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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