Molecule

ID:16468

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-9-7-10(19-13(9)14(15)16)8-18-12-6-4-3-5-11(12)17-2/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
BAVCTHFIAYUIRG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCc1cc(c(o1)C(=O)O)C
Isomeric Smiles
c1(oc(c(c1)C)C(=O)O)COc1c(cccc1)OC
Calculated Properties
JChem
Acid pKa
2.9483902
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.024253773
LogD (pH = 7.4)
-0.94677806
Log P
2.5336285
Molar Refractivity
68.1628
Polarizability
25.972841
Polar Surface Area
68.9
Rotatable Bonds
5
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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