Molecule

ID:14759

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O₂
Molecular Mass
259.1733
Exact Mass
258.09018325
Charge
0
InChI
InChI=1S/C9H18N2O2.2ClH/c1-2-10-5-7-11(8-6-10)4-3-9(12)13;;/h2-8H2,1H3,(H,12,13);2*1H
InChIKey
AGPZIQZBOIOKFE-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)CCC(=O)O.Cl.Cl
Isomeric Smiles
N1(CCN(CC1)CC)CCC(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
2.8686037
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.63525
LogD (pH = 7.4)
-2.6235025
Log P
-2.6179647
Molar Refractivity
51.5708
Polarizability
20.150518
Polar Surface Area
43.78
Rotatable Bonds
4
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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