Molecule

ID:68484

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₅
Molecular Mass
204.22034
Exact Mass
204.09977361
Charge
0
InChI
InChI=1S/C9H16O5/c1-4-12-7(8(10)13-5-2)9(11)14-6-3/h7H,4-6H2,1-3H3
InChIKey
PMIWYGMNGVBLCH-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(=O)OCC)C(=O)OCC
Isomeric Smiles
C(=O)(C(C(=O)OCC)OCC)OCC
Calculated Properties
JChem
Acid pKa
15.656412
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.95906276
LogD (pH = 7.4)
0.95906276
Log P
0.95906276
Molar Refractivity
48.8612
Polarizability
19.639914
Polar Surface Area
61.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation