Molecule

ID:29877

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃
Molecular Mass
95.1026
Exact Mass
95.04834718
Charge
0
InChI
InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
InChIKey
FVLAYJRLBLHIPV-UHFFFAOYSA-N
Canonic Smiles
Nc1cncnc1
Isomeric Smiles
c1ncc(cn1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.78
LogD (pH = 5.5)
-0.78
Log P
-0.78
Rotatable Bonds
0
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.96
Polar Surface Area
51.80
Polarizability
8.98
Molar Refractivity
27.42
LOG S
-0.06
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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