Molecule

ID:24805

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O₂
Molecular Mass
158.54252
Exact Mass
157.98830503
Charge
0
InChI
InChI=1S/C5H3ClN2O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H,9,10)
InChIKey
HHGZQZULOHYEOH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nn1)Cl
Isomeric Smiles
c1(nnc(cc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.442746
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4046936
LogD (pH = 7.4)
-2.7486725
Log P
0.64345855
Molar Refractivity
36.5147
Polarizability
13.0339365
Polar Surface Area
63.08
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