Molecule

ID:43879

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c1-7-6-3-2-5(4-8-6)9(10)11/h2-4H,1H3,(H,7,8)
InChIKey
QCSKSRVVPACJEC-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1c(cnc(c1)NC)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
18.169888
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.76274896
LogD (pH = 7.4)
0.7627927
Log P
0.76279324
Molar Refractivity
40.7289
Polarizability
14.344452
Polar Surface Area
68.06
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