Molecule

ID:55863

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₅
Molecular Mass
220.05928
Exact Mass
219.00785061
Charge
0
InChI
InChI=1S/C6H6ClN5.ClH/c7-4-1-2-5-9-10-6(3-8)12(5)11-4;/h1-2H,3,8H2;1H
InChIKey
ZQJNZIJFXOITQL-UHFFFAOYSA-N
Canonic Smiles
NCc1nnc2n1nc(Cl)cc2.Cl
Isomeric Smiles
n1c(ccc2n1c(nn2)CN)Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5517366
LogD (pH = 7.4)
-0.8626989
Log P
-0.2843223
Molar Refractivity
57.6563
Polarizability
16.907574
Polar Surface Area
69.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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