Molecule

ID:100426

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₃NO
Molecular Mass
266.0147296
Exact Mass
264.93501038
Charge
0
InChI
InChI=1S/C8H3BrF3NO/c9-4-2-1-3-5-6(4)13-7(14-5)8(10,11)12/h1-3H
InChIKey
MHXHEGALWVDEIZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1nc(o2)C(F)(F)F
Isomeric Smiles
n1c(oc2c1c(ccc2)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3440113
LogD (pH = 7.4)
3.3440113
Log P
3.3440113
Molar Refractivity
45.7968
Polarizability
18.149973
Polar Surface Area
26.03
Rotatable Bonds
1
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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