Molecule

ID:60132

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃O₄
Molecular Mass
197.14818
Exact Mass
197.04365572
Charge
0
InChI
InChI=1S/C7H7N3O4/c1-4-2-3-5(9(11)12)6(8)7(4)10(13)14/h2-3H,8H2,1H3
InChIKey
KZSINJBSWZJVRO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1N)[N+](=O)[O-])C
Isomeric Smiles
c1c(c(c(c(c1)C)[N+](=O)[O-])N)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
11.425016
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.8377092
LogD (pH = 7.4)
2.837671
Log P
2.8377097
Molar Refractivity
50.449
Polarizability
17.150526
Polar Surface Area
117.66
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