Molecule

ID:48042

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀Cl₂N₂
Molecular Mass
239.1852
Exact Mass
238.10035401
Charge
0
InChI
InChI=1S/C10H18N2.2ClH/c1-3-7-12(8-4-2)10-5-6-11-9-10;;/h3-4,10-11H,1-2,5-9H2;2*1H
InChIKey
DIRYVABJQPQRSZ-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C1CNCC1)CC=C.Cl.Cl
Isomeric Smiles
N1CC(N(CC=C)CC=C)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5939968
LogD (pH = 7.4)
-1.7815186
Log P
1.2364676
Molar Refractivity
53.6045
Polarizability
21.039652
Polar Surface Area
15.27
Rotatable Bonds
5
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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