Molecule

ID:44763

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₆
Molecular Mass
247.24508
Exact Mass
247.10558727
Charge
0
InChI
InChI=1S/C10H17NO6/c1-4-16-9(12)6-8(7(3)11(14)15)10(13)17-5-2/h7-8H,4-6H2,1-3H3
InChIKey
GVCIHMUGJCWCKR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C([N+](=O)[O-])C)C(=O)OCC
Isomeric Smiles
[N+](=O)(C(C(C(=O)OCC)CC(=O)OCC)C)[O-]
Calculated Properties
JChem
Acid pKa
5.0285144
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.22663952
LogD (pH = 7.4)
-1.5002007
Log P
0.8238229
Molar Refractivity
57.6667
Polarizability
22.780203
Polar Surface Area
98.42
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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