Molecule

ID:89946

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/h3-5,11H,1-2H3
InChIKey
LKIMRQIKTONPER-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)c(C)c([nH]2)C
Isomeric Smiles
[nH]1c2c(cc(cc2)[N+](=O)[O-])c(c1C)C
Calculated Properties
JChem
Acid pKa
16.54462
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7249746
LogD (pH = 7.4)
2.7249746
Log P
2.7249746
Molar Refractivity
53.6559
Polarizability
20.913095
Polar Surface Area
58.93
Rotatable Bonds
1
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