Molecule
ID:66252
General Information
Molecular Formula
C₉H₈FNO₄
Molecular Mass
213.1625232
Exact Mass
213.04373596
Charge
0
InChI
InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-8(11(13)14)7(10)5-6/h3-5H,2H2,1H3
InChIKey
BFEJCZKSFRXXDG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
Isomeric Smiles
C(=O)(c1cc(c(cc1)[N+](=O)[O-])F)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4162169
LogD (pH = 7.4)
2.4162169
Log P
2.4162169
Molar Refractivity
49.3688
Polarizability
18.328856
Polar Surface Area
69.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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