Molecule

ID:69684

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO₂
Molecular Mass
141.0998632
Exact Mass
141.02260659
Charge
0
InChI
InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
WFQDTOYDVUWQMS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.055932
LogD (pH = 7.4)
2.055932
Log P
2.055932
Molar Refractivity
32.5949
Polarizability
11.985541
Polar Surface Area
43.14
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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