Molecule

ID:33849

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-4-5(6(11)8-7)3-10(2)9-4/h3H,7H2,1-2H3,(H,8,11)
InChIKey
YVHSEIOJPHRUIV-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(cc1C(=O)NN)C
Isomeric Smiles
c1(c(nn(c1)C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.946539
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9141695
LogD (pH = 7.4)
-0.91337067
Log P
-0.91335934
Molar Refractivity
53.1154
Polarizability
14.980959
Polar Surface Area
72.94
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