Molecule

ID:3935

General Information
Structure
Molecular Formula
C₈H₂₀N₂
Molecular Mass
144.2578
Exact Mass
144.16264865
Charge
0
InChI
InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKey
PWGJDPKCLMLPJW-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCCN
Isomeric Smiles
NCCCCCCCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-4.28
LogD (pH = 5.5)
-5.11
Log P
0.93
Rotatable Bonds
7
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.51
Polar Surface Area
52.04
Polarizability
19.35
Molar Refractivity
45.78
LOG S
-0.91
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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