Molecule

ID:48118

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈Cl₂N₂
Molecular Mass
319.31292
Exact Mass
318.16295427
Charge
0
InChI
InChI=1S/C16H26N2.2ClH/c1-2-18(14-16-7-4-3-5-8-16)12-10-15-9-6-11-17-13-15;;/h3-5,7-8,15,17H,2,6,9-14H2,1H3;2*1H
InChIKey
WITVXEYVGWDENH-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1ccccc1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N1CC(CCN(Cc2ccccc2)CC)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.8517635
LogD (pH = 7.4)
-2.411071
Log P
2.820378
Molar Refractivity
78.9247
Polarizability
31.141335
Polar Surface Area
15.27
Rotatable Bonds
6
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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