Molecule

ID:8045

General Information
Structure
Molecular Formula
C₇H₃BrF₄
Molecular Mass
242.9963328
Exact Mass
241.93542498
Charge
0
InChI
InChI=1S/C7H3BrF4/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1H,2H2
InChIKey
WTKVWOHBTGWNEO-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1)CBr)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3167908
LogD (pH = 7.4)
3.3167908
Log P
3.3167908
Molar Refractivity
39.774
Polarizability
14.487695
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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