Molecule

ID:122201

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-2-17-11-5-3-4-6-12(11)18-9-10-7-8-13(19-10)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKey
AHYKFXYGKJXUKM-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1OCc1ccc(o1)C(=O)O
Isomeric Smiles
c1(oc(cc1)COc1c(OCC)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.112363
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.017853858
LogD (pH = 7.4)
-1.0826167
Log P
2.377015
Molar Refractivity
67.8702
Polarizability
26.046976
Polar Surface Area
68.9
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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