Molecule

ID:53404

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrFNO₂
Molecular Mass
274.0863632
Exact Mass
272.98006875
Charge
0
InChI
InChI=1S/C10H9BrFNO2/c11-5-9-6-13(10(14)15-9)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
InChIKey
XJKABTHXZUEAHA-UHFFFAOYSA-N
Canonic Smiles
BrCC1CN(C(=O)O1)c1ccc(cc1)F
Isomeric Smiles
C1(=O)N(c2ccc(cc2)F)CC(O1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5752425
LogD (pH = 7.4)
2.5752425
Log P
2.5752425
Molar Refractivity
55.9049
Polarizability
21.488192
Polar Surface Area
29.54
Rotatable Bonds
2
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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