Molecule

ID:113241

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O
Molecular Mass
140.14322
Exact Mass
140.0698109
Charge
0
InChI
InChI=1S/C5H8N4O/c1-3-2-4(10)8-5(7-3)9-6/h2H,6H2,1H3,(H2,7,8,9,10)
InChIKey
RFKCQKWRFAJRPY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(=O)[nH]c(n1)NN
Isomeric Smiles
[nH]1c(nc(cc1=O)C)NN
Calculated Properties
JChem
Acid pKa
11.205162
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.93373454
LogD (pH = 7.4)
-0.82863736
Log P
-0.8150325
Molar Refractivity
48.9445
Polarizability
13.521398
Polar Surface Area
79.51
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