Molecule

ID:48123

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄Cl₂N₂O
Molecular Mass
259.21636
Exact Mass
258.12656876
Charge
0
InChI
InChI=1S/C10H22N2O.2ClH/c1-12(8-9-13)7-4-10-2-5-11-6-3-10;;/h10-11,13H,2-9H2,1H3;2*1H
InChIKey
GHTGUHUXDLWXDZ-UHFFFAOYSA-N
Canonic Smiles
OCCN(CCC1CCNCC1)C.Cl.Cl
Isomeric Smiles
N1CCC(CCN(CCO)C)CC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593842
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.6371284
LogD (pH = 7.4)
-4.8705406
Log P
-0.028958673
Molar Refractivity
55.9328
Polarizability
22.094809
Polar Surface Area
35.5
Rotatable Bonds
5
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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