Molecule

ID:17989

General Information
Structure
MolImage
Molecular Formula
C₃H₈Cl₂N₄
Molecular Mass
171.02842
Exact Mass
170.01260164
Charge
0
InChI
InChI=1S/C3H6N4.2ClH/c1-7-2-5-3(4)6-7;;/h2H,1H3,(H2,4,6);2*1H
InChIKey
TUHSACJUFKEVCZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ncn(n1)C.Cl.Cl
Isomeric Smiles
n1c(nn(c1)C)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.393488
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4358126
LogD (pH = 7.4)
-0.43555698
Log P
-0.4355537
Molar Refractivity
38.7819
Polarizability
9.204008
Polar Surface Area
56.73
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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