Molecule

ID:47986

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂Cl₂N₂
Molecular Mass
253.21178
Exact Mass
252.11600407
Charge
0
InChI
InChI=1S/C11H20N2.2ClH/c1-3-8-13(9-4-2)11-6-5-7-12-10-11;;/h3-4,11-12H,1-2,5-10H2;2*1H
InChIKey
SLCJWLMKFLDRNE-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C1CCCNC1)CC=C.Cl.Cl
Isomeric Smiles
N1CC(N(CC=C)CC=C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3096201
LogD (pH = 7.4)
-0.71692425
Log P
1.7538302
Molar Refractivity
58.2491
Polarizability
22.886656
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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