Molecule

ID:55131

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O
Molecular Mass
257.20048
Exact Mass
256.11091869
Charge
0
InChI
InChI=1S/C10H20N2O.2ClH/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10;;/h9-10H,1-8,11H2;2*1H
InChIKey
HYXJEJRVAXONMK-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C1CCOCC1.Cl.Cl
Isomeric Smiles
O1CCC(CC1)N1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.7798786
LogD (pH = 7.4)
-4.848967
Log P
-0.63746667
Molar Refractivity
53.8454
Polarizability
21.43625
Polar Surface Area
38.49
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
No Data Available
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Molecule Details
References
Bioactivity
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