Molecule

ID:42836

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3
InChIKey
YTKNUPJYGSOVLV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)n(C)nc2
Isomeric Smiles
n1n(c2c(c1)ccc(c2)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5869858
LogD (pH = 7.4)
0.5910063
Log P
0.5910578
Molar Refractivity
55.9895
Polarizability
17.560417
Polar Surface Area
43.84
Rotatable Bonds
0
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