Molecule

ID:91609

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-9-10-4-3-5-11(8-10)12-6-1-2-7-13(12)14(16)17/h1-9H,(H,16,17)
InChIKey
ZNULJIUYCWDSRX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccccc1C(=O)O
Isomeric Smiles
OC(=O)c1c(cccc1)c1cccc(c1)C=O
Calculated Properties
JChem
Acid pKa
3.6766424
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.169186
LogD (pH = 7.4)
-0.32417673
Log P
2.9905565
Molar Refractivity
65.0344
Polarizability
25.502892
Polar Surface Area
54.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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