Molecule

ID:98293

General Information
Structure
Molecular Formula
C₈H₃BrF₃N
Molecular Mass
250.0153296
Exact Mass
248.94009576
Charge
0
InChI
InChI=1S/C8H3BrF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChIKey
XPCKPTRLDWJPRV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1Br)C(F)(F)F
Isomeric Smiles
FC(c1c(c(ccc1)C#N)Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.475943
LogD (pH = 7.4)
3.475943
Log P
3.475943
Molar Refractivity
45.3761
Polarizability
16.525627
Polar Surface Area
23.79
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
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Molecule Details
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References
Bioactivity
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