Molecule

ID:55474

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c7-4-5-2-1-3-9-6(5)8/h1-3H,4,7H2,(H2,8,9)
InChIKey
MSEQBCDSEVCGDC-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N
Isomeric Smiles
c1(c(CN)cccn1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.2770247
LogD (pH = 7.4)
-1.7208871
Log P
-0.3531266
Molar Refractivity
37.3884
Polarizability
13.93294
Polar Surface Area
64.93
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