Molecule

ID:33828

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃
Molecular Mass
121.13988
Exact Mass
121.06399724
Charge
0
InChI
InChI=1S/C6H7N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,5H2
InChIKey
SJXLTSDYZRWRQH-UHFFFAOYSA-N
Canonic Smiles
N#CCCn1cccn1
Isomeric Smiles
n1n(ccc1)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.17391738
LogD (pH = 7.4)
0.17404911
Log P
0.17405078
Molar Refractivity
44.7247
Polarizability
12.509397
Polar Surface Area
41.61
Rotatable Bonds
2
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