Molecule

ID:51096

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₄
Molecular Mass
198.21576
Exact Mass
198.08920893
Charge
0
InChI
InChI=1S/C10H14O4/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h7H,2-6H2,1H3
InChIKey
SIQOFNOENHOIFT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)C1CCCCC1=O
Isomeric Smiles
C(=O)(C1C(=O)CCCC1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.357204
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2481282
LogD (pH = 7.4)
2.2481234
Log P
2.2481282
Molar Refractivity
49.4028
Polarizability
19.40381
Polar Surface Area
60.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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