Molecule

ID:74938

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆NO₅P
Molecular Mass
273.222201
Exact Mass
273.07660925
Charge
0
InChI
InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChIKey
FORMFFDDQMCTCT-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1ccc(cc1)[N+](=O)[O-])OCC
Isomeric Smiles
P(=O)(OCC)(OCC)Cc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2955859
LogD (pH = 7.4)
2.2955859
Log P
2.2955859
Molar Refractivity
67.7009
Polarizability
26.162374
Polar Surface Area
81.35
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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