Molecule

ID:55410

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂Cl₂N₄
Molecular Mass
199.08158
Exact Mass
198.04390176
Charge
0
InChI
InChI=1S/C5H10N4.2ClH/c1-3-4(6)5(7)8-9(3)2;;/h6H2,1-2H3,(H2,7,8);2*1H
InChIKey
DCPSHUOQHUTDIW-UHFFFAOYSA-N
Canonic Smiles
Nc1nn(c(c1N)C)C.Cl.Cl
Isomeric Smiles
c1(c(c(nn1C)N)N)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
19.32216
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.47006738
LogD (pH = 7.4)
-0.46282035
Log P
-0.4627272
Molar Refractivity
49.8254
Polarizability
12.945993
Polar Surface Area
69.86
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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