Molecule
ID:76445
General Information
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c1-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h2-5,11H,1H3
InChIKey
MHZZDYJKWIQMFN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)oc(=O)cc2O
Isomeric Smiles
o1c2cc(ccc2c(cc1=O)O)C
Calculated Properties
JChem
Acid pKa
6.557341
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5068088
LogD (pH = 7.4)
0.6467317
Log P
1.5432341
Molar Refractivity
48.4821
Polarizability
18.08282
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...