Molecule

ID:62830

General Information
Structure
Molecular Formula
C₁₀H₁₈Cl₂N₄
Molecular Mass
265.18272
Exact Mass
264.09085196
Charge
0
InChI
InChI=1S/C10H16N4.2ClH/c1-7-5-13-10(11)14-9(7)8-3-2-4-12-6-8;;/h5,8,12H,2-4,6H2,1H3,(H2,11,13,14);2*1H
InChIKey
FXGLVHGMXBYNQZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(n1)C1CCCNC1)C.Cl.Cl
Isomeric Smiles
n1c(c(cnc1N)C)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.516832
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4014902
LogD (pH = 7.4)
-1.4763488
Log P
0.8038724
Molar Refractivity
57.279
Polarizability
21.367367
Polar Surface Area
63.83
Rotatable Bonds
1
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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