Molecule

ID:100160

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀BrFO
Molecular Mass
281.1203032
Exact Mass
279.98990516
Charge
0
InChI
InChI=1S/C13H10BrFO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
BYTJTXKQBSNGCL-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1F)OCc1ccccc1
Isomeric Smiles
O(c1cc(c(cc1)Br)F)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4515023
LogD (pH = 7.4)
4.4515023
Log P
4.4515023
Molar Refractivity
64.973
Polarizability
24.887585
Polar Surface Area
9.23
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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