Molecule

ID:10860

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀Cl₂N₄
Molecular Mass
303.2307
Exact Mass
302.10650202
Charge
0
InChI
InChI=1S/C13H18N4.2ClH/c14-13-15-11-5-1-2-6-12(11)17(13)10-9-16-7-3-4-8-16;;/h1-2,5-6H,3-4,7-10H2,(H2,14,15);2*1H
InChIKey
RJMFTBZMWHDDJJ-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(n1CCN1CCCC1)cccc2.Cl.Cl
Isomeric Smiles
c1(n(c2c(n1)cccc2)CCN1CCCC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.803394
LogD (pH = 7.4)
-0.5237959
Log P
1.7629461
Molar Refractivity
69.599
Polarizability
27.57596
Polar Surface Area
47.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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