Molecule

ID:57541

General Information
Structure
MolImage
Molecular Formula
C₃HBrF₃N₃
Molecular Mass
215.9593496
Exact Mass
214.93059371
Charge
0
InChI
InChI=1S/C3HBrF3N3/c4-2-8-1(9-10-2)3(5,6)7/h(H,8,9,10)
InChIKey
ZHLNRDIDHQSRLT-UHFFFAOYSA-N
Canonic Smiles
FC(c1[nH]nc(n1)Br)(F)F
Isomeric Smiles
c1(nc(n[nH]1)Br)C(F)(F)F
Calculated Properties
JChem
Acid pKa
5.534972
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6306984
LogD (pH = 7.4)
0.47987387
Log P
1.9049066
Molar Refractivity
32.4679
Polarizability
11.392554
Polar Surface Area
41.57
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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