Molecule

ID:2704

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N+
Molecular Mass
100.18206
Exact Mass
100.11262445
Charge
1
InChI
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
InChIKey
PAFZNILMFXTMIY-UHFFFAOYSA-O
Canonic Smiles
[NH3+]C1CCCCC1
Isomeric Smiles
[NH3+]C1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.57
LogD (pH = 5.5)
-1.85
Log P
1.17
Rotatable Bonds
0
H Donor
1
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
10.45
Polar Surface Area
27.64
Polarizability
12.75
Molar Refractivity
42.23
LOG S
-0.97
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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