Molecule

ID:91641

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₄
Molecular Mass
244.24268
Exact Mass
244.07355886
Charge
0
InChI
InChI=1S/C14H12O4/c1-18-11-4-2-3-9(7-11)10-5-6-13(15)12(8-10)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKey
PZGDFXFOZUEBMT-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccc(c(c1)C(=O)O)O
Isomeric Smiles
Oc1c(cc(cc1)c1cc(ccc1)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
2.7023754
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7423738
LogD (pH = 7.4)
-0.034129765
Log P
3.4668176
Molar Refractivity
66.8945
Polarizability
26.714376
Polar Surface Area
66.76
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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