Molecule

ID:86584

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃O₄
Molecular Mass
269.64122
Exact Mass
269.02033343
Charge
0
InChI
InChI=1S/C10H8ClN3O4/c11-5-10-12-9(13-18-10)6-17-8-3-1-7(2-4-8)14(15)16/h1-4H,5-6H2
InChIKey
ZSDGQKTYLGPRGC-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)COc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1c(onc1COc1ccc(cc1)[N+](=O)[O-])CCl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.5348527
LogD (pH = 7.4)
2.5348527
Log P
2.5348527
Molar Refractivity
63.7792
Polarizability
23.316544
Polar Surface Area
93.97
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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