Molecule

ID:25210

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄
Molecular Mass
124.14382
Exact Mass
124.07489628
Charge
0
InChI
InChI=1S/C5H8N4/c1-4-2-3-5(7-6)9-8-4/h2-3H,6H2,1H3,(H,7,9)
InChIKey
FIEDFVRFAQARPW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(nn1)NN
Isomeric Smiles
n1nc(ccc1NN)C
Calculated Properties
JChem
Acid pKa
18.944397
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.7662297
LogD (pH = 7.4)
-0.12582755
Log P
-0.10672625
Molar Refractivity
38.3761
Polarizability
12.879908
Polar Surface Area
63.83
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