Molecule
ID:42633
General Information
Molecular Formula
C₉H₁₁N₃O₂
Molecular Mass
193.20254
Exact Mass
193.08512661
Charge
0
InChI
InChI=1S/C9H11N3O2/c13-12(14)8-4-3-5-10-9(8)11-6-1-2-7-11/h3-5H,1-2,6-7H2
InChIKey
SMRXLVBZPIVHDZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1N1CCCC1
Isomeric Smiles
c1cnc(c(c1)[N+](=O)[O-])N1CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8032998
LogD (pH = 7.4)
1.8038495
Log P
1.8038565
Molar Refractivity
53.5089
Polarizability
19.113152
Polar Surface Area
61.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...