Molecule

ID:103546

General Information
Structure
MolImage
Molecular Formula
C₄H₂₃NO₆
Molecular Mass
181.22852
Exact Mass
181.15253746
Charge
0
InChI
InChI=1S/C4H12N.6H2O/c1-5(2,3)4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1
InChIKey
MYXKPFMQWULLOH-UHFFFAOYSA-M
Canonic Smiles
C[N+](C)(C)C.O.O.O.O.O.[OH-]
Isomeric Smiles
O.O.O.O.O.[OH-].C[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.9721673
LogD (pH = 7.4)
-3.9721673
Log P
-3.9721673
Molar Refractivity
35.9017
Polarizability
9.572162
Polar Surface Area
0.0
Rotatable Bonds
0
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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