Molecule

ID:79399

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)
InChIKey
LBOUHDMYVURTMA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)/C=C/C(=O)O
Isomeric Smiles
O=Cc1ccc(cc1)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
3.8962858
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23931323
LogD (pH = 7.4)
-1.3669175
Log P
1.8485886
Molar Refractivity
49.6439
Polarizability
18.094944
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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