Molecule

ID:62415

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClN₃
Molecular Mass
295.85074
Exact Mass
295.18152553
Charge
0
InChI
InChI=1S/C16H25N3.ClH/c1-3-9-18-15(5-1)13-19-12-4-2-6-16(19)14-7-10-17-11-8-14;/h1,3,5,9,14,16-17H,2,4,6-8,10-13H2;1H
InChIKey
YIWHBMRZYUYHMO-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)C1CCCCN1Cc1ccccn1.Cl
Isomeric Smiles
N1(C(C2CCNCC2)CCCC1)Cc1ncccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.6466255
LogD (pH = 7.4)
-2.6013985
Log P
1.7929342
Molar Refractivity
78.7082
Polarizability
31.309742
Polar Surface Area
28.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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