Molecule

ID:68230

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-4-3(5(9)10)6-1-2-7-4/h1-2H,(H,7,8)(H,9,10)
InChIKey
FJZRUSFQHBBTCC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nccnc1O
Isomeric Smiles
c1(c(nccn1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.014542
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.9548843
LogD (pH = 7.4)
-2.9542313
Log P
0.5222264
Molar Refractivity
30.9228
Polarizability
11.673
Polar Surface Area
83.31
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