Molecule

ID:134616

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₅W
Molecular Mass
421.04874
Exact Mass
421.01465346
Charge
0
InChI
InChI=1S/C6H11N.5CO.W/c1-3-4-5-6-7-2;5*1-2;/h3-6H2,1H3;;;;;;
InChIKey
JCKKCTGFUHGCRD-UHFFFAOYSA-N
Canonic Smiles
[C-]#[N+]CCCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
Isomeric Smiles
CCCCC[N+]#[C-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
Calculated Properties
JChem
Acid pKa
16.216387
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.18994132
LogD (pH = 7.4)
-0.18994132
Log P
-0.18994132
Molar Refractivity
39.9862
Polarizability
12.126437
Polar Surface Area
4.36
Rotatable Bonds
3
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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