Molecule

ID:24898

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrF₂N₂O₂
Molecular Mass
283.0700664
Exact Mass
281.98154598
Charge
0
InChI
InChI=1S/C8H9BrF2N2O2/c1-2-15-6(14)4-13-3-5(9)7(12-13)8(10)11/h3,8H,2,4H2,1H3
InChIKey
GFXHSCOGIAKHQV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1cc(c(n1)C(F)F)Br
Isomeric Smiles
c1(nn(cc1Br)CC(=O)OCC)C(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6965872
LogD (pH = 7.4)
1.6965879
Log P
1.6965879
Molar Refractivity
62.9168
Polarizability
19.950676
Polar Surface Area
44.12
Rotatable Bonds
5
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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