Molecule

ID:59964

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-7-9-4-5-11(15)8(2)13(9)19-14(17)10(7)6-12(16)18-3/h4-5,15H,6H2,1-3H3
InChIKey
VHNZFXKDCIJJSH-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CC(=O)OC)c(=O)oc2c1ccc(c2C)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2C)O)C)CC(=O)OC
Calculated Properties
JChem
Acid pKa
8.211627
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9575438
LogD (pH = 7.4)
1.8964562
Log P
1.9583818
Molar Refractivity
68.2453
Polarizability
26.243261
Polar Surface Area
72.83
Rotatable Bonds
3
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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