Molecule

ID:51596

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrFNO
Molecular Mass
218.0231032
Exact Mass
216.95385401
Charge
0
InChI
InChI=1S/C7H5BrFNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3
InChIKey
UJKOXVSYARTOMX-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)F)C(=O)C
Isomeric Smiles
c1(cnc(c(c1)F)C(=O)C)Br
Calculated Properties
JChem
Acid pKa
14.14376
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6105256
LogD (pH = 7.4)
1.6105257
Log P
1.6105258
Molar Refractivity
41.7711
Polarizability
15.942903
Polar Surface Area
29.96
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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