Molecule

ID:28391

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O
Molecular Mass
182.22296
Exact Mass
182.11676109
Charge
0
InChI
InChI=1S/C8H14N4O/c1-8(2,3)6-4-5(11-12-6)7(13)10-9/h4H,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
ZJFRMJHBYDBUGG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1[nH]nc(c1)C(C)(C)C
Isomeric Smiles
c1(cc(n[nH]1)C(C)(C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
9.550595
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.68152606
LogD (pH = 7.4)
0.6795058
Log P
0.68250215
Molar Refractivity
51.4793
Polarizability
18.715445
Polar Surface Area
83.8
Rotatable Bonds
2
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