Molecule

ID:10732

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀N₂
Molecular Mass
144.2578
Exact Mass
144.16264865
Charge
0
InChI
InChI=1S/C8H20N2/c1-8(2)10-7-5-3-4-6-9/h8,10H,3-7,9H2,1-2H3
InChIKey
XBPAJDWNIXPXFJ-UHFFFAOYSA-N
Canonic Smiles
NCCCCCNC(C)C
Isomeric Smiles
CC(NCCCCCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.4559135
LogD (pH = 7.4)
-4.771173
Log P
0.80541176
Molar Refractivity
45.9216
Polarizability
18.552586
Polar Surface Area
38.05
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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