Molecule

ID:15730

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂Cl₂N₂O₂
Molecular Mass
285.21058
Exact Mass
284.10583331
Charge
0
InChI
InChI=1S/C11H20N2O2.2ClH/c14-11(15)9-2-1-7-13(8-9)10-3-5-12-6-4-10;;/h9-10,12H,1-8H2,(H,14,15);2*1H
InChIKey
QLQIDWZIPJTBJZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C1CCNCC1.Cl.Cl
Isomeric Smiles
C1(N2CC(CCC2)C(=O)O)CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
3.758641
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.2155766
LogD (pH = 7.4)
-3.4650156
Log P
-2.6409361
Molar Refractivity
58.3724
Polarizability
23.102808
Polar Surface Area
52.57
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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