Molecule

ID:99925

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrFNO
Molecular Mass
260.1028432
Exact Mass
259.0008042
Charge
0
InChI
InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3,(H,13,14)
InChIKey
JMGZGVYFFZYKKM-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1cc(F)ccc1Br)C
Isomeric Smiles
N(C(C)C)C(=O)c1cc(ccc1Br)F
Calculated Properties
JChem
Acid pKa
13.15671
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7323997
LogD (pH = 7.4)
2.732399
Log P
2.7323997
Molar Refractivity
57.0397
Polarizability
21.30156
Polar Surface Area
29.1
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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