Molecule

ID:92456

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀N₄
Molecular Mass
172.2712
Exact Mass
172.16879666
Charge
0
InChI
InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
InChIKey
QBPPRVHXOZRESW-UHFFFAOYSA-N
Canonic Smiles
N1CCNCCNCCNCC1
Isomeric Smiles
N1CCNCCNCCNCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-5.98
LogD (pH = 5.5)
-8.29
Log P
-1.46
Rotatable Bonds
0
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
10.17
Polar Surface Area
48.12
Polarizability
20.00
Molar Refractivity
50.90
LOG S
1.55
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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