Molecule

ID:11862

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrF₃NO
Molecular Mass
205.9612296
Exact Mass
204.93501038
Charge
0
InChI
InChI=1S/C3H3BrF3NO/c4-1-2(8-9)3(5,6)7/h9H,1H2/b8-2-
InChIKey
GTAMTJKIIPLJSN-WAPJZHGLSA-N
Canonic Smiles
BrC/C(=N/O)/C(F)(F)F
Isomeric Smiles
C(/C(=N\O)/CBr)(F)(F)F
Calculated Properties
JChem
Acid pKa
-5.8646336
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.40546402
LogD (pH = 7.4)
-0.40547138
Log P
0.247684
Molar Refractivity
28.7634
Polarizability
10.767531
Polar Surface Area
32.59
Rotatable Bonds
2
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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