Molecule

ID:77805

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₄
Molecular Mass
334.4498
Exact Mass
334.21440944
Charge
0
InChI
InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKey
KCXZNSGUUQJJTR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
Isomeric Smiles
O=C(c1c(cccc1)C(=O)OCCCCCC)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4062724
LogD (pH = 7.4)
6.4062724
Log P
6.4062724
Molar Refractivity
96.2598
Polarizability
37.582756
Polar Surface Area
52.6
Rotatable Bonds
14
Lipinski's Rule of Five
false
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
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References
Bioactivity
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