Molecule

ID:77913

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C8H20N.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1
InChIKey
PCZOZSATUTWXIC-UHFFFAOYSA-N
Canonic Smiles
CC[N+](CC)(CC)CC.N#[C-]
Isomeric Smiles
[N+](CC)(CC)(CC)CC.N#[C-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.5449352
LogD (pH = 7.4)
-2.5449352
Log P
-2.5449352
Molar Refractivity
54.8961
Polarizability
16.958946
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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