Molecule

ID:91610

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)14(16)17/h1-9H,(H,16,17)
InChIKey
QOCUSJPHQSKJJR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1cccc(c1)C(=O)O
Isomeric Smiles
O=Cc1cc(ccc1)c1cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9983246
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4794661
LogD (pH = 7.4)
-0.16947378
Log P
2.9905565
Molar Refractivity
65.0344
Polarizability
25.497942
Polar Surface Area
54.37
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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