Molecule

ID:53338

General Information
Structure
Molecular Formula
C₉H₈N₂O₃
Molecular Mass
192.17142
Exact Mass
192.05349213
Charge
0
InChI
InChI=1S/C9H8N2O3/c1-5-3-4-6-7(10-5)11(2)9(13)14-8(6)12/h3-4H,1-2H3
InChIKey
CLGNGRQWSNKXLY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)n(C)c(=O)oc2=O
Isomeric Smiles
c1c(nc2c(c1)c(=O)oc(=O)n2C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.84829795
LogD (pH = 7.4)
0.8483291
Log P
0.84832954
Molar Refractivity
47.6903
Polarizability
18.01596
Polar Surface Area
59.5
Rotatable Bonds
0
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