Molecule

ID:136197

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₅
Molecular Mass
154.09592451
Exact Mass
154.05813691
Charge
0
InChI
InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2/i1+1,2+1,3+1
InChIKey
OLQJQHSAWMFDJE-VMIGTVKRSA-N
Canonic Smiles
O[13CH2]C([N+](=O)[O-])([13CH2]O)[13CH2]O
Isomeric Smiles
[13CH2](C([13CH2]O)([13CH2]O)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
13.627402
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.0672357
LogD (pH = 7.4)
-2.067236
Log P
-2.0672357
Molar Refractivity
31.0243
Polarizability
12.186728
Polar Surface Area
106.51
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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