Molecule

ID:42555

General Information
Structure
MolImage
Molecular Formula
C₃H₉ClN₆
Molecular Mass
164.59676
Exact Mass
164.057722
Charge
0
InChI
InChI=1S/C3H8N6.ClH/c1-2-7-8-3(6-4)9(2)5;/h4-5H2,1H3,(H,6,8);1H
InChIKey
CFGXZSUQSDATNR-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(n1N)NN.Cl
Isomeric Smiles
n1(c(nnc1C)NN)N.Cl
Calculated Properties
JChem
Acid pKa
17.562046
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.8841258
LogD (pH = 7.4)
-1.872468
Log P
-1.8723176
Molar Refractivity
38.7445
Polarizability
11.813569
Polar Surface Area
94.78
Rotatable Bonds
1
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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