Molecule

ID:7688

General Information
Structure
MolImage
Molecular Formula
C₆H₂FN₃O₃
Molecular Mass
183.0967832
Exact Mass
183.00801916
Charge
0
InChI
InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey
PGZIDERTDJHJFY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c2c1non2)F
Isomeric Smiles
n1onc2c1c(ccc2[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4059546
LogD (pH = 7.4)
1.4059546
Log P
1.4059546
Molar Refractivity
38.6717
Polarizability
14.763785
Polar Surface Area
82.06
Rotatable Bonds
1
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
References
Bioactivity
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