Molecule

ID:109859

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₄
Molecular Mass
230.30068
Exact Mass
230.15180918
Charge
0
InChI
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKey
TVIDDXQYHWJXFK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.67
LogD (pH = 5.5)
1.85
Log P
3.16
Rotatable Bonds
11
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
4.65
Polar Surface Area
74.60
Polarizability
26.85
Molar Refractivity
60.34
LOG S
-3.00
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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