Molecule

ID:78386

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChIKey
IFQUPKAISSPFTE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)c1ccc(cc1)C(=O)O
Isomeric Smiles
OC(=O)c1ccc(cc1)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.7570713
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3465157
LogD (pH = 7.4)
-0.19139047
Log P
3.0901818
Molar Refractivity
63.8897
Polarizability
24.296652
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
No Data Available
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Molecule Details
References
Bioactivity
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