Molecule

ID:51467

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₃O₂
Molecular Mass
224.04468
Exact Mass
222.99153184
Charge
0
InChI
InChI=1S/C6H6ClN3O2.ClH/c7-4-2-9-5(10-8)1-3(4)6(11)12;/h1-2H,8H2,(H,9,10)(H,11,12);1H
InChIKey
NBIGRXVXPRLFAB-UHFFFAOYSA-N
Canonic Smiles
NNc1ncc(c(c1)C(=O)O)Cl.Cl
Isomeric Smiles
c1(C(=O)O)c(cnc(c1)NN)Cl.Cl
Calculated Properties
JChem
Acid pKa
3.543153
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.32789564
LogD (pH = 7.4)
-2.0020323
Log P
0.2977541
Molar Refractivity
45.9823
Polarizability
16.373997
Polar Surface Area
88.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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