Molecule
ID:121148
General Information
Molecular Formula
C₈H₉N₅
Molecular Mass
175.19056
Exact Mass
175.08579531
Charge
0
InChI
InChI=1S/C8H9N5/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,12)
InChIKey
CGGBUAWMFFPBOD-UHFFFAOYSA-N
Canonic Smiles
Nc1nnnn1Cc1ccccc1
Isomeric Smiles
n1(c(nnn1)N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
17.365242
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.93250823
LogD (pH = 7.4)
0.9325089
Log P
0.9325089
Molar Refractivity
62.3209
Polarizability
17.892372
Polar Surface Area
69.62
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...