Molecule

ID:48128

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆Cl₂N₂
Molecular Mass
281.26494
Exact Mass
280.1473042
Charge
0
InChI
InChI=1S/C13H24N2.2ClH/c1-3-10-15(11-4-2)12-7-13-5-8-14-9-6-13;;/h3-4,13-14H,1-2,5-12H2;2*1H
InChIKey
QTKSBBFUNYRINA-UHFFFAOYSA-N
Canonic Smiles
C=CCN(CCC1CCNCC1)CC=C.Cl.Cl
Isomeric Smiles
N1CCC(CCN(CC=C)CC=C)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.3311753
LogD (pH = 7.4)
-2.3033428
Log P
2.123643
Molar Refractivity
67.9659
Polarizability
26.580679
Polar Surface Area
15.27
Rotatable Bonds
7
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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