Molecule

ID:21879

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O
Molecular Mass
257.20048
Exact Mass
256.11091869
Charge
0
InChI
InChI=1S/C10H20N2O.2ClH/c13-6-3-10-7-11-4-5-12(10)8-9-1-2-9;;/h9-11,13H,1-8H2;2*1H
InChIKey
KDDBEILOCZVMMP-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1CC1CC1.Cl.Cl
Isomeric Smiles
N1(CC2CC2)C(CCO)CNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.921774
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.5141137
LogD (pH = 7.4)
-2.4307392
Log P
-0.13555682
Molar Refractivity
53.5134
Polarizability
21.362965
Polar Surface Area
35.5
Rotatable Bonds
4
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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