Molecule

ID:35736

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrFNO
Molecular Mass
274.1294232
Exact Mass
273.01645426
Charge
0
InChI
InChI=1S/C11H13BrFNO/c1-3-10(12)11(15)14(2)9-6-4-8(13)5-7-9/h4-7,10H,3H2,1-2H3
InChIKey
HEDYTRLWIOSDBF-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N(c1ccc(cc1)F)C)Br
Isomeric Smiles
C(=O)(N(c1ccc(cc1)F)C)C(Br)CC
Calculated Properties
JChem
Acid pKa
19.240677
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0318499
LogD (pH = 7.4)
3.0318499
Log P
3.0318499
Molar Refractivity
61.0079
Polarizability
23.20427
Polar Surface Area
20.31
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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