Molecule

ID:106937

General Information
Structure
Molecular Formula
C₁₅H₂₂O₅
Molecular Mass
282.33218
Exact Mass
282.1467238
Charge
0
InChI
InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
InChIKey
NRPKURNSADTHLJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O
Isomeric Smiles
CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
Calculated Properties
JChem
LogD (pH = 7.4)
4.09
LogD (pH = 5.5)
4.17
Log P
4.17
Rotatable Bonds
9
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.11
Polar Surface Area
86.99
Polarizability
31.76
Molar Refractivity
76.30
LOG S
-3.81
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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