Molecule

ID:8970

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₂N₂O₂
Molecular Mass
184.0997864
Exact Mass
184.00843375
Charge
0
InChI
InChI=1S/C7H2F2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
InChIKey
JQHDRFKDZHGEBQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)ccc(c1F)[N+](=O)[O-]
Isomeric Smiles
c1cc(c(c(c1F)C#N)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0547302
LogD (pH = 7.4)
2.0547302
Log P
2.0547302
Molar Refractivity
38.5329
Polarizability
13.739964
Polar Surface Area
66.93
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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