Molecule

ID:48082

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀Cl₂N₂
Molecular Mass
297.3074
Exact Mass
296.17860433
Charge
0
InChI
InChI=1S/C14H28N2.2ClH/c1-2-14-8-4-6-11-16(14)12-9-13-7-3-5-10-15-13;;/h13-15H,2-12H2,1H3;2*1H
InChIKey
XNYRLVKYKOFXCU-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1CCC1CCCCN1.Cl.Cl
Isomeric Smiles
N1(CCC2NCCCC2)C(CC)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.631262
LogD (pH = 7.4)
-1.6556476
Log P
2.5853226
Molar Refractivity
70.4749
Polarizability
28.150137
Polar Surface Area
15.27
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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