Molecule

ID:99933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrFNO₂
Molecular Mass
288.1129432
Exact Mass
286.99571882
Charge
0
InChI
InChI=1S/C11H11BrFNO2/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKey
AJYUNBOMJFGUQB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)ccc1Br)N1CCOCC1
Isomeric Smiles
N1(C(=O)c2c(ccc(c2)F)Br)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9641923
LogD (pH = 7.4)
1.9641924
Log P
1.9641924
Molar Refractivity
61.8435
Polarizability
23.193008
Polar Surface Area
29.54
Rotatable Bonds
1
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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