Molecule

ID:48165

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O
Molecular Mass
257.20048
Exact Mass
256.11091869
Charge
0
InChI
InChI=1S/C10H20N2O.2ClH/c13-10-2-5-12(6-3-10)8-9-1-4-11-7-9;;/h9-11,13H,1-8H2;2*1H
InChIKey
JVKJPSWWMAWFFA-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCC2)CCC(CC1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.179358
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.575714
LogD (pH = 7.4)
-4.731137
Log P
-0.7904239
Molar Refractivity
53.987
Polarizability
21.362965
Polar Surface Area
35.5
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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