Molecule

ID:64719

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₃
Molecular Mass
206.07246
Exact Mass
205.01735266
Charge
0
InChI
InChI=1S/C7H8ClN3.ClH/c8-7-5-3-9-2-1-6(5)10-4-11-7;/h4,9H,1-3H2;1H
InChIKey
UNRVAPSMNJIVGK-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1CNCC2.Cl
Isomeric Smiles
C1NCc2c(C1)ncnc2Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7368637
LogD (pH = 7.4)
-0.029968556
Log P
0.5020181
Molar Refractivity
44.5682
Polarizability
16.742378
Polar Surface Area
37.81
Rotatable Bonds
0
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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