Molecule

ID:48061

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂O
Molecular Mass
271.22706
Exact Mass
270.12656876
Charge
0
InChI
InChI=1S/C11H22N2O.2ClH/c1-13(11-2-5-12-8-11)9-10-3-6-14-7-4-10;;/h10-12H,2-9H2,1H3;2*1H
InChIKey
ISEXAJPTBYAIDT-UHFFFAOYSA-N
Canonic Smiles
CN(C1CNCC1)CC1CCOCC1.Cl.Cl
Isomeric Smiles
N(CC1CCOCC1)(C1CCNC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.752773
LogD (pH = 7.4)
-2.8537543
Log P
0.19575477
Molar Refractivity
58.5726
Polarizability
23.27968
Polar Surface Area
24.5
Rotatable Bonds
3
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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