Molecule

ID:40079

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8H
InChIKey
PWCFKNYSCGRNRW-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(cc2)[N+](=O)[O-])cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5154
LogD (pH = 7.4)
2.5154
Log P
2.5154
Molar Refractivity
62.1309
Polarizability
20.16362
Polar Surface Area
48.07
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