Molecule

ID:94286

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉BrFNO
Molecular Mass
294.1190632
Exact Mass
292.98515413
Charge
0
InChI
InChI=1S/C13H9BrFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChIKey
XCOKDXNGCQXFCV-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(=O)c1ccccc1F)N
Isomeric Smiles
O=C(c1c(ccc(c1)Br)N)c1ccccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.165019
LogD (pH = 7.4)
4.1651263
Log P
4.1651273
Molar Refractivity
69.1731
Polarizability
25.59877
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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