Molecule

ID:85604

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
InChIKey
QJRYYOWARFCJQZ-UHFFFAOYSA-N
Canonic Smiles
N#CN1CCCC1
Isomeric Smiles
N#CN1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5764834
LogD (pH = 7.4)
0.5764834
Log P
0.5764834
Molar Refractivity
28.488
Polarizability
10.194319
Polar Surface Area
27.03
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