Molecule

ID:33827

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃
Molecular Mass
107.1133
Exact Mass
107.04834718
Charge
0
InChI
InChI=1S/C5H5N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,5H2
InChIKey
KQULXIRGBBDZKY-UHFFFAOYSA-N
Canonic Smiles
N#CCn1cccn1
Isomeric Smiles
n1(nccc1)CC#N
Calculated Properties
JChem
Acid pKa
11.629857
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.063061126
LogD (pH = 7.4)
-0.06298873
Log P
-0.06296195
Molar Refractivity
40.0253
Polarizability
10.675154
Polar Surface Area
41.61
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