Molecule

ID:20735

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄Cl₂N₂O
Molecular Mass
259.21636
Exact Mass
258.12656876
Charge
0
InChI
InChI=1S/C10H22N2O.2ClH/c1-12(2)7-8-13-9-10-3-5-11-6-4-10;;/h10-11H,3-9H2,1-2H3;2*1H
InChIKey
QSHPFJPHJNAUBU-UHFFFAOYSA-N
Canonic Smiles
CN(CCOCC1CCNCC1)C.Cl.Cl
Isomeric Smiles
N1CCC(COCCN(C)C)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.113243
LogD (pH = 7.4)
-4.0026865
Log P
0.2475529
Molar Refractivity
56.006
Polarizability
22.168617
Polar Surface Area
24.5
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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