Molecule

ID:57644

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-2-7-4-5(3-6-7)8(9)10/h3-4H,2H2,1H3
InChIKey
LQPXKEBIYOXPKM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(nc1)CC
Isomeric Smiles
n1cc(cn1CC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.69789755
LogD (pH = 7.4)
0.69789803
Log P
0.69789803
Molar Refractivity
46.0305
Polarizability
12.722224
Polar Surface Area
60.96
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