Molecule

ID:42890

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₂NO₅
Molecular Mass
261.1789664
Exact Mass
261.04487883
Charge
0
InChI
InChI=1S/C10H9F2NO5/c1-2-17-10(14)5-18-9-4-8(13(15)16)6(11)3-7(9)12/h3-4H,2,5H2,1H3
InChIKey
UOVQPWRQZSZGDV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(OCC(=O)OCC)c(cc1F)F
Isomeric Smiles
c1c(c(cc(c1F)[N+](=O)[O-])OCC(=O)OCC)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.021648
LogD (pH = 7.4)
2.021648
Log P
2.021648
Molar Refractivity
55.881
Polarizability
20.782114
Polar Surface Area
81.35
Rotatable Bonds
6
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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