Molecule

ID:64135

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrFNO
Molecular Mass
242.0445032
Exact Mass
240.95385401
Charge
0
InChI
InChI=1S/C9H5BrFNO/c10-9-5-8(13-12-9)6-1-3-7(11)4-2-6/h1-5H
InChIKey
PZNNZGICSJRAMW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1onc(c1)Br
Isomeric Smiles
c1c(onc1Br)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0219944
LogD (pH = 7.4)
3.0219944
Log P
3.0219944
Molar Refractivity
51.1951
Polarizability
19.85544
Polar Surface Area
26.03
Rotatable Bonds
1
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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