Molecule

ID:95023

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrFNO₂
Molecular Mass
234.0225032
Exact Mass
232.94876863
Charge
0
InChI
InChI=1S/C7H5BrFNO2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,1H3
InChIKey
QZUIGBPWEFMEEV-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c(c(c1)[N+](=O)[O-])C
Isomeric Smiles
Fc1c(c(cc(c1)Br)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.338106
LogD (pH = 7.4)
3.338106
Log P
3.338106
Molar Refractivity
46.2631
Polarizability
16.811653
Polar Surface Area
45.82
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
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Molecule Details
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References
Bioactivity
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