Molecule

ID:50807

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂NO₂
Molecular Mass
159.0903264
Exact Mass
159.01318478
Charge
0
InChI
InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey
IXIJRPBFPLESEI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1F)F
Isomeric Smiles
[N+](=O)(c1c(c(F)ccc1)F)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.198634
LogD (pH = 7.4)
2.198634
Log P
2.198634
Molar Refractivity
32.8113
Polarizability
11.864023
Polar Surface Area
43.14
Rotatable Bonds
1
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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