Molecule

ID:103545

General Information
Structure
MolImage
Molecular Formula
C₈H₂₁NO
Molecular Mass
147.25844
Exact Mass
147.1623143
Charge
0
InChI
InChI=1S/C8H20N.H2O/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;/p-1
InChIKey
LRGJRHZIDJQFCL-UHFFFAOYSA-M
Canonic Smiles
CC[N+](CC)(CC)CC.[OH-]
Isomeric Smiles
[OH-].CC[N+](CC)(CC)CC
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
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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