Molecule

ID:28106

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₃
Molecular Mass
143.1008
Exact Mass
143.03309104
Charge
0
InChI
InChI=1S/C4H5N3O3/c5-2-1(4(9)10)3(8)7-6-2/h(H,9,10)(H4,5,6,7,8)
InChIKey
DUQFAQHENFQMTA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(N)[nH][nH]c1=O
Isomeric Smiles
c1(c([nH][nH]c1=O)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.525192
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-7.520822
LogD (pH = 7.4)
-6.4271874
Log P
-1.8478447
Molar Refractivity
50.6519
Polarizability
11.402517
Polar Surface Area
104.45
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