Molecule

ID:76374

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₄
Molecular Mass
244.24268
Exact Mass
244.07355886
Charge
0
InChI
InChI=1S/C14H12O4/c1-17-10-6-8-11(9-7-10)18-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
WMNNWPSQMMOCGQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccccc1C(=O)O
Isomeric Smiles
O(c1ccccc1C(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.5989058
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0770315
LogD (pH = 7.4)
-0.36997637
Log P
2.9734447
Molar Refractivity
66.0182
Polarizability
25.50318
Polar Surface Area
55.76
Rotatable Bonds
4
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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