Molecule

ID:95292

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂BrF₂NO
Molecular Mass
364.1840864
Exact Mass
363.00703245
Charge
0
InChI
InChI=1S/C17H12F2NO.BrH/c18-14-6-3-7-15(19)17(14)16(21)11-20-9-8-12-4-1-2-5-13(12)10-20;/h1-10H,11H2;1H/q+1;/p-1
InChIKey
IOKUPGHWWNVZBW-UHFFFAOYSA-M
Canonic Smiles
Fc1cccc(c1C(=O)C[n+]1ccc2c(c1)cccc2)F.[Br-]
Isomeric Smiles
[n+]1(cc2ccccc2cc1)CC(=O)c1c(cccc1F)F.[Br-]
Calculated Properties
JChem
Acid pKa
13.482612
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.680692
LogD (pH = 7.4)
-0.6806923
Log P
-0.68069196
Molar Refractivity
76.8412
Polarizability
29.80134
Polar Surface Area
20.95
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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