Molecule

ID:7129

General Information
Structure
Molecular Formula
C₈H₇BrClF
Molecular Mass
237.4965832
Exact Mass
235.94036812
Charge
0
InChI
InChI=1S/C8H7BrClF/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
QWQVTYYKMSFGGP-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(Cl)ccc(c1F)C
Isomeric Smiles
c1cc(c(c(c1Cl)CBr)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.006151
LogD (pH = 7.4)
4.006151
Log P
4.006151
Molar Refractivity
48.9708
Polarizability
18.365784
Polar Surface Area
0.0
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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