Molecule

ID:51055

General Information
Structure
Molecular Formula
C₅H₂Cl₂N₂O₂
Molecular Mass
192.98758
Exact Mass
191.94933267
Charge
0
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11)
InChIKey
MOXUTXQEKYPKKS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)nc(c1)C(=O)O
Isomeric Smiles
c1(nc(cc(n1)Cl)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.3917916
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.2695065
LogD (pH = 7.4)
-1.5790417
Log P
1.8259408
Molar Refractivity
40.9712
Polarizability
15.126546
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
暂无数据
点击上传数据
References
Bioactivity
Navigation