Molecule

ID:34029

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O
Molecular Mass
257.20048
Exact Mass
256.11091869
Charge
0
InChI
InChI=1S/C10H20N2O.2ClH/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10;;/h9-10H,1-8,11H2;2*1H
InChIKey
MNYUKUOWLFXDJQ-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CC1CCCO1.Cl.Cl
Isomeric Smiles
N1(CC2OCCC2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.7131605
LogD (pH = 7.4)
-3.6344266
Log P
-0.18006371
Molar Refractivity
53.6246
Polarizability
21.43625
Polar Surface Area
38.49
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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