Molecule

ID:19494

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂Cl₂N₂
Molecular Mass
253.21178
Exact Mass
252.11600407
Charge
0
InChI
InChI=1S/C11H20N2.2ClH/c1-2-6-13(5-1)11-7-9-3-4-10(8-11)12-9;;/h9-12H,1-8H2;2*1H
InChIKey
VMBQNSJOFQJMTE-UHFFFAOYSA-N
Canonic Smiles
C1CCN(C1)C1CC2CCC(C1)N2.Cl.Cl
Isomeric Smiles
C1(N2CCCC2)CC2NC(C1)CC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.555404
LogD (pH = 7.4)
-3.7962558
Log P
0.7650567
Molar Refractivity
54.5669
Polarizability
21.872458
Polar Surface Area
15.27
Rotatable Bonds
1
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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