Molecule

ID:69155

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₄O₂
Molecular Mass
164.12156
Exact Mass
164.03342539
Charge
0
InChI
InChI=1S/C6H4N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h1-3H,(H,11,12)
InChIKey
DEKZPGQGALUACN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nnc2n1ccnc2
Isomeric Smiles
c12cnccn1c(nn2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0685523
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.784125
LogD (pH = 7.4)
-4.8494554
Log P
-1.3834468
Molar Refractivity
40.7291
Polarizability
14.037176
Polar Surface Area
80.38
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