Molecule
ID:71224
General Information
Molecular Formula
C₁₀H₈BrFO
Molecular Mass
243.0723232
Exact Mass
241.9742551
Charge
0
InChI
InChI=1S/C10H8BrFO/c11-10-7-2-1-3-9(13)6(7)4-5-8(10)12/h4-5H,1-3H2
InChIKey
IYENTJQOLSXUQB-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCc2c1ccc(c2Br)F
Isomeric Smiles
C1(=O)CCCc2c(c(ccc12)F)Br
Calculated Properties
JChem
Acid pKa
16.623652
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1925793
LogD (pH = 7.4)
3.1925793
Log P
3.1925793
Molar Refractivity
52.1659
Polarizability
19.617424
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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