Molecule

ID:43151

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrF₃NO₂
Molecular Mass
284.0300096
Exact Mass
282.94557507
Charge
0
InChI
InChI=1S/C8H5BrF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChIKey
PEEBGPINNABOSD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1Br)C(F)(F)F
Isomeric Smiles
c1(c(nc(C(F)(F)F)cc1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9970238
LogD (pH = 7.4)
2.9970238
Log P
2.9970238
Molar Refractivity
49.9931
Polarizability
18.517923
Polar Surface Area
39.19
Rotatable Bonds
3
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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