Molecule

ID:97197

General Information
Structure
Molecular Formula
C₇H₅BrFNO₂
Molecular Mass
234.0225032
Exact Mass
232.94876863
Charge
0
InChI
InChI=1S/C7H5BrFNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2
InChIKey
KKSODTKRSQTJFZ-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(F)cccc1[N+](=O)[O-]
Isomeric Smiles
BrCc1c(cccc1[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8286693
LogD (pH = 7.4)
2.8286693
Log P
2.8286693
Molar Refractivity
45.4453
Polarizability
16.78809
Polar Surface Area
43.14
Rotatable Bonds
2
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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