Molecule

ID:55411

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄Cl₂N₄
Molecular Mass
213.10816
Exact Mass
212.05955183
Charge
0
InChI
InChI=1S/C6H12N4.2ClH/c1-3-10-4(2)5(7)6(8)9-10;;/h3,7H2,1-2H3,(H2,8,9);2*1H
InChIKey
WLLUXZBUCTYOOO-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(c(c1C)N)N.Cl.Cl
Isomeric Smiles
c1(c(c(nn1CC)N)N)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
19.306435
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.112767115
LogD (pH = 7.4)
-0.10600611
Log P
-0.10591923
Molar Refractivity
54.574
Polarizability
14.778909
Polar Surface Area
69.86
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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