Molecule

ID:99942

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrFNO
Molecular Mass
272.1135432
Exact Mass
271.0008042
Charge
0
InChI
InChI=1S/C11H11BrFNO/c12-10-4-3-8(13)7-9(10)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKey
VLSARSUANLDDJO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)ccc1Br)N1CCCC1
Isomeric Smiles
N1(CCCC1)C(=O)c1c(ccc(c1)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.58849
LogD (pH = 7.4)
2.5884902
Log P
2.5884902
Molar Refractivity
60.31
Polarizability
22.413624
Polar Surface Area
20.31
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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