Molecule

ID:71776

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₄
Molecular Mass
246.25856
Exact Mass
246.08920893
Charge
0
InChI
InChI=1S/C14H14O4/c1-2-10-3-5-11(6-4-10)17-9-12-7-8-13(18-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
InChIKey
AODZZHSIEMSDEZ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCc1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)COc1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
3.1123633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7767074
LogD (pH = 7.4)
-0.3237633
Log P
3.1358683
Molar Refractivity
66.3006
Polarizability
25.259817
Polar Surface Area
59.67
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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