Molecule

ID:121604

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrFO₃
Molecular Mass
275.0711232
Exact Mass
273.96408434
Charge
0
InChI
InChI=1S/C10H8BrFO3/c11-8(5-9(13)14)10(15)6-1-3-7(12)4-2-6/h1-4,8H,5H2,(H,13,14)
InChIKey
CAZGDYWJCWEYTI-UHFFFAOYSA-N
Canonic Smiles
BrC(C(=O)c1ccc(cc1)F)CC(=O)O
Isomeric Smiles
C(C(C(=O)c1ccc(cc1)F)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0236785
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.117561445
LogD (pH = 7.4)
-1.1483263
Log P
2.3233867
Molar Refractivity
54.9432
Polarizability
20.97473
Polar Surface Area
54.37
Rotatable Bonds
4
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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