Molecule

ID:62965

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(13-2)16-12(15-9)8-10-3-5-14-6-4-10;;/h7,10,14H,3-6,8H2,1-2H3,(H,13,15,16);2*1H
InChIKey
URZVGJXLNCEUSF-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(CC2CCNCC2)nc(c1)C.Cl.Cl
Isomeric Smiles
n1c(nc(cc1NC)C)CC1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.5777009
LogD (pH = 7.4)
-1.787206
Log P
1.1461765
Molar Refractivity
67.4522
Polarizability
25.048063
Polar Surface Area
49.84
Rotatable Bonds
3
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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