Molecule

ID:99903

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrFNO
Molecular Mass
274.1294232
Exact Mass
273.01645426
Charge
0
InChI
InChI=1S/C11H13BrFNO/c1-2-3-6-14-11(15)9-7-8(13)4-5-10(9)12/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKey
MPKWJFNGQIMVLE-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1cc(F)ccc1Br
Isomeric Smiles
Brc1c(cc(cc1)F)C(=O)NCCCC
Calculated Properties
JChem
Acid pKa
13.029296
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2829156
LogD (pH = 7.4)
3.2829149
Log P
3.2829158
Molar Refractivity
61.7459
Polarizability
23.105433
Polar Surface Area
29.1
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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