Molecule

ID:15962

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁BrFN
Molecular Mass
268.1248432
Exact Mass
267.00588958
Charge
0
InChI
InChI=1S/C12H11BrFN/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13/h3-7H,1-2H3
InChIKey
FAUJIJHPWBIQLE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Br)n1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)c1ccc(cc1Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5221
LogD (pH = 7.4)
3.5221
Log P
3.5221
Molar Refractivity
73.949
Polarizability
24.249746
Polar Surface Area
4.93
Rotatable Bonds
0
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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