Molecule

ID:100583

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅BrF₃N
Molecular Mass
276.0526096
Exact Mass
274.95574583
Charge
0
InChI
InChI=1S/C10H5BrF3N/c11-7-3-1-2-6-4-5-8(10(12,13)14)15-9(6)7/h1-5H
InChIKey
OSWXDIFARUFKTR-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1nc(cc2)C(F)(F)F
Isomeric Smiles
n1c(ccc2cccc(c12)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1633515
LogD (pH = 7.4)
4.163352
Log P
4.163352
Molar Refractivity
53.2038
Polarizability
20.948769
Polar Surface Area
12.89
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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