Molecule
ID:95071
General Information
Molecular Formula
C₈H₃BrF₃N
Molecular Mass
250.0153296
Exact Mass
248.94009576
Charge
0
InChI
InChI=1S/C8H3BrF3N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChIKey
SHMCOZJMBAPHQC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Br)cccc1C(F)(F)F
Isomeric Smiles
FC(c1c(c(ccc1)Br)C#N)(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
16.525305
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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