Molecule

ID:90181

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₄
Molecular Mass
170.1626
Exact Mass
170.0579088
Charge
0
InChI
InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3
InChIKey
STRNXFOUBFLVIN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C#CC(=O)OCC
Isomeric Smiles
O(C(=O)C#CC(=O)OCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6821631
LogD (pH = 7.4)
1.6821631
Log P
1.6821631
Molar Refractivity
42.0374
Polarizability
15.993817
Polar Surface Area
52.6
Rotatable Bonds
6
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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