Molecule

ID:47929

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄Cl₂N₂O
Molecular Mass
259.21636
Exact Mass
258.12656876
Charge
0
InChI
InChI=1S/C10H22N2O.2ClH/c1-2-12(6-7-13)9-10-4-3-5-11-8-10;;/h10-11,13H,2-9H2,1H3;2*1H
InChIKey
TYMPKWILLHGVON-UHFFFAOYSA-N
Canonic Smiles
OCCN(CC1CCCNC1)CC.Cl.Cl
Isomeric Smiles
N1CC(CN(CCO)CC)CCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.593292
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.916491
LogD (pH = 7.4)
-3.7776837
Log P
0.0027910736
Molar Refractivity
55.9046
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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