Molecule

ID:44655

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃
Molecular Mass
83.0919
Exact Mass
83.04834718
Charge
0
InChI
InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
InChIKey
PZKFSRWSQOQYNR-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]cn1
Isomeric Smiles
n1c(n[nH]c1)C
Calculated Properties
JChem
Acid pKa
10.2159605
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.11937382
LogD (pH = 7.4)
0.1190514
Log P
0.11970616
Molar Refractivity
23.5439
Polarizability
8.044694
Polar Surface Area
41.57
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