Molecule

ID:57646

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂
Molecular Mass
155.15456
Exact Mass
155.06947654
Charge
0
InChI
InChI=1S/C6H9N3O2/c1-3-8-4-6(9(10)11)5(2)7-8/h4H,3H2,1-2H3
InChIKey
TYUHNNYPMAKLIQ-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(c(c1)[N+](=O)[O-])C
Isomeric Smiles
n1c(c(cn1CC)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8292486
LogD (pH = 7.4)
0.8292679
Log P
0.82926816
Molar Refractivity
51.6262
Polarizability
14.463965
Polar Surface Area
63.64
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