Molecule

ID:103492

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₄
Molecular Mass
336.46568
Exact Mass
336.2300595
Charge
0
InChI
InChI=1S/C20H32O4/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/h12-18,21H,2-11H2,1H3,(H,23,24)
InChIKey
BGKHCLZFGPIKKU-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(/C=C/C1C=CC(=O)C1CCCCCCC(=O)O)O
Isomeric Smiles
CCCCCC(O)/C=C/C1C=CC(=O)C1CCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.4515414
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.653642
LogD (pH = 7.4)
1.8901275
Log P
4.7378726
Molar Refractivity
97.9733
Polarizability
37.555786
Polar Surface Area
74.6
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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