Molecule

ID:7987

General Information
Structure
Molecular Formula
C₇H₆BrF
Molecular Mass
189.0249432
Exact Mass
187.96369041
Charge
0
InChI
InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
SCBZBMXPJYMXRC-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)F
Isomeric Smiles
c1cc(cc(c1)CBr)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.888685
LogD (pH = 7.4)
2.888685
Log P
2.888685
Molar Refractivity
39.1248
Polarizability
14.645308
Polar Surface Area
0.0
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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