Molecule

ID:131752

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₄
Molecular Mass
336.46568
Exact Mass
336.2300595
Charge
0
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey
JNUUNUQHXIOFDA-JGKLHWIESA-N
Canonic Smiles
CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO
Isomeric Smiles
CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO
Calculated Properties
JChem
LogD (pH = 7.4)
2.91
LogD (pH = 5.5)
4.67
Log P
5.81
Rotatable Bonds
15
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
4.39
Polar Surface Area
66.76
Polarizability
38.65
Molar Refractivity
102.82
LOG S
-6.76
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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