Molecule

ID:114423

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-11-10(13)12-9/h2-6H,1H3,(H2,11,12,13)
InChIKey
PQKFEZPGBWKPGF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1c[nH]c(=O)[nH]1
Isomeric Smiles
[nH]1c(=O)[nH]cc1c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.337406
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7723523
LogD (pH = 7.4)
0.77189445
Log P
0.7723581
Molar Refractivity
52.4909
Polarizability
19.817987
Polar Surface Area
50.36
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation