Molecule

ID:83291

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₅
Molecular Mass
227.21392
Exact Mass
227.07937252
Charge
0
InChI
InChI=1S/C10H13NO5/c12-11(13)9-5-4-8(16-9)7-15-10-3-1-2-6-14-10/h4-5,10H,1-3,6-7H2
InChIKey
OHDHWVXJNNVQLR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(o1)COC1CCCCO1
Isomeric Smiles
[N+](=O)(c1ccc(o1)COC1OCCCC1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8391116
LogD (pH = 7.4)
1.8391116
Log P
1.8391116
Molar Refractivity
54.6275
Polarizability
20.923626
Polar Surface Area
77.42
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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