Molecule

ID:31745

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O₃
Molecular Mass
192.17142
Exact Mass
192.05349213
Charge
0
InChI
InChI=1S/C9H8N2O3/c1-4-3-6(9(12)13)7-5(2)11-14-8(7)10-4/h3H,1-2H3,(H,12,13)
InChIKey
FSGQUBXBQDIYBH-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2onc(c2c(c1)C(=O)O)C
Isomeric Smiles
c12c(onc2C)nc(cc1C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.488057
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5765259
LogD (pH = 7.4)
-2.9521823
Log P
0.42678198
Molar Refractivity
48.0626
Polarizability
18.20886
Polar Surface Area
76.22
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