Molecule

ID:76378

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₄
Molecular Mass
244.24268
Exact Mass
244.07355886
Charge
0
InChI
InChI=1S/C14H12O4/c1-17-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
UYBHUZLSTOFTOG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1ccc(cc1)C(=O)O
Isomeric Smiles
O(c1ccccc1OC)c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.292661
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.742029
LogD (pH = 7.4)
0.0051199626
Log P
2.9734447
Molar Refractivity
66.0182
Polarizability
25.502674
Polar Surface Area
55.76
Rotatable Bonds
4
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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