Molecule

ID:62983

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂Cl₂N₄
Molecular Mass
293.23588
Exact Mass
292.12215208
Charge
0
InChI
InChI=1S/C12H20N4.2ClH/c1-9-7-11(16(2)3)15-12(14-9)10-5-4-6-13-8-10;;/h7,10,13H,4-6,8H2,1-3H3;2*1H
InChIKey
OVDXWJRYNJTREH-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nc(c1)N(C)C)C1CCCNC1.Cl.Cl
Isomeric Smiles
n1c(nc(cc1N(C)C)C)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6601919
LogD (pH = 7.4)
-0.34081644
Log P
1.746399
Molar Refractivity
66.9579
Polarizability
25.046797
Polar Surface Area
41.05
Rotatable Bonds
2
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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