Molecule

ID:77536

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃
Molecular Mass
171.19856
Exact Mass
171.0796473
Charge
0
InChI
InChI=1S/C10H9N3/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
InChIKey
YTDZFWNQRRMELI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nn1)c1ccccc1
Isomeric Smiles
n1nc(ccc1c1ccccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5607127
LogD (pH = 7.4)
1.5742356
Log P
1.5744107
Molar Refractivity
53.5425
Polarizability
20.682196
Polar Surface Area
51.8
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