Molecule

ID:88407

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₅
Molecular Mass
202.20446
Exact Mass
202.08412355
Charge
0
InChI
InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
InChIKey
OQOCQBJWOCRPQY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)C(C(=O)OCC)C
Isomeric Smiles
O(C(=O)C(=O)C(C(=O)OCC)C)CC
Calculated Properties
JChem
LogD (pH = 7.4)
1.73
LogD (pH = 5.5)
1.74
Log P
1.74
Rotatable Bonds
7
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.00
Polar Surface Area
69.67
Polarizability
20.18
Molar Refractivity
47.94
LOG S
-1.51
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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