Molecule

ID:99904

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BrFNO
Molecular Mass
308.1456432
Exact Mass
307.0008042
Charge
0
InChI
InChI=1S/C14H11BrFNO/c15-13-7-6-11(16)8-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKey
BLCODIJJLWFIOY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)NCc1ccccc1)Br
Isomeric Smiles
Brc1c(cc(cc1)F)C(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.991566
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6834898
LogD (pH = 7.4)
3.6834888
Log P
3.6834898
Molar Refractivity
72.4849
Polarizability
27.079771
Polar Surface Area
29.1
Rotatable Bonds
3
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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