Molecule

ID:60168

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c14-13(15)10-4-2-1-3-9(10)7-12-6-5-11-8-12/h1-6,8H,7H2
InChIKey
GXVAHCGFGVRIHQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1Cn1cncc1
Isomeric Smiles
n1(cncc1)Cc1c(cccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2148193
LogD (pH = 7.4)
1.6794198
Log P
1.7429092
Molar Refractivity
55.8468
Polarizability
20.379
Polar Surface Area
63.64
Rotatable Bonds
3
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