Molecule

ID:11797

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O₂
Molecular Mass
158.54252
Exact Mass
157.98830503
Charge
0
InChI
InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
InChIKey
BAZVFQBTJPBRTJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1c(ncc(c1)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5197794
LogD (pH = 7.4)
1.5197794
Log P
1.5197794
Molar Refractivity
36.0877
Polarizability
13.384868
Polar Surface Area
56.03
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
References
Bioactivity
Navigation