Molecule

ID:56059

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClN₃O₂
Molecular Mass
161.54646
Exact Mass
160.99920406
Charge
0
InChI
InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChIKey
OSJUNMSWBBOTQU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ncn(c1Cl)C
Isomeric Smiles
c1(c(ncn1C)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9319489
LogD (pH = 7.4)
0.9319489
Log P
0.9319489
Molar Refractivity
35.3494
Polarizability
12.978122
Polar Surface Area
60.96
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