Molecule

ID:42843

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₂NO₃
Molecular Mass
189.1163064
Exact Mass
189.02374947
Charge
0
InChI
InChI=1S/C7H5F2NO3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,1H3
InChIKey
UWQOVGHBTZMFAF-UHFFFAOYSA-N
Canonic Smiles
COc1cc([N+](=O)[O-])c(cc1F)F
Isomeric Smiles
c1(c(cc(c(c1)OC)F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0409627
LogD (pH = 7.4)
2.0409627
Log P
2.0409627
Molar Refractivity
40.2787
Polarizability
14.4274025
Polar Surface Area
55.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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