Molecule

ID:76368

General Information
Structure
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-10-5-7-12(8-6-10)17-13-4-2-3-11(9-13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
JDFNHFHOMMSCEZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1cccc(c1)C(=O)O
Isomeric Smiles
O=C(c1cc(ccc1)Oc1ccc(cc1)C)O
Calculated Properties
JChem
Acid pKa
3.8236477
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9651784
LogD (pH = 7.4)
0.3931746
Log P
3.6445372
Molar Refractivity
64.5962
Polarizability
24.739534
Polar Surface Area
46.53
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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