Molecule

ID:98016

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrFNO
Molecular Mass
203.9965232
Exact Mass
202.93820394
Charge
0
InChI
InChI=1S/C6H3BrFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-3H
InChIKey
WXWCXVNMFZTDCP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1F)Br
Isomeric Smiles
n1c(c(c(cc1)C=O)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5850523
LogD (pH = 7.4)
1.5850523
Log P
1.5850523
Molar Refractivity
39.1665
Polarizability
14.218134
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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