Molecule

ID:42494

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClN₂O₃
Molecular Mass
198.56332
Exact Mass
197.98321965
Charge
0
InChI
InChI=1S/C7H3ClN2O3/c8-4-1-5-7(13-3-9-5)2-6(4)10(11)12/h1-3H
InChIKey
KYZBUAFFLVOXMM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2ocnc2cc1Cl
Isomeric Smiles
c1(c(cc2c(c1)nco2)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8638937
LogD (pH = 7.4)
1.8638942
Log P
1.8638942
Molar Refractivity
44.8526
Polarizability
17.702007
Polar Surface Area
71.85
Rotatable Bonds
1
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