Molecule

ID:96355

General Information
Structure
MolImage
Molecular Formula
C₇H₃FN₂O₃
Molecular Mass
182.1087232
Exact Mass
182.01277019
Charge
0
InChI
InChI=1S/C7H3FN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-3H
InChIKey
XCDYDLFUPMSLGZ-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(ccc1F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)N=C=O)F)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9654876
LogD (pH = 7.4)
1.9654876
Log P
1.9654876
Molar Refractivity
42.6711
Polarizability
14.449541
Polar Surface Area
75.25
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
References
Bioactivity
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