Molecule

ID:61402

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄O₂
Molecular Mass
194.1906
Exact Mass
194.08037558
Charge
0
InChI
InChI=1S/C8H10N4O2/c9-8(10)12-11-7(14)5-1-3-6(13)4-2-5/h1-4,13H,(H,11,14)(H4,9,10,12)
InChIKey
DQXMNIQMZGLUSR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)O)NNC(=N)N
Isomeric Smiles
C(=N)(NNC(=O)c1ccc(cc1)O)N
Calculated Properties
JChem
Acid pKa
8.279125
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-2.5404322
LogD (pH = 7.4)
-1.4124756
Log P
-0.61057204
Molar Refractivity
71.8689
Polarizability
18.67292
Polar Surface Area
111.23
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