Molecule
ID:99615
General Information
Molecular Formula
C₆H₃BrFIO
Molecular Mass
316.8942932
Exact Mass
315.83960294
Charge
0
InChI
InChI=1S/C6H3BrFIO/c7-3-1-6(10)4(8)2-5(3)9/h1-2,10H
InChIKey
QQIXQXWCRVQWEB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(I)c(cc1O)Br
Isomeric Smiles
Oc1c(cc(c(c1)Br)I)F
Calculated Properties
JChem
Acid pKa
7.3447313
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5039642
LogD (pH = 7.4)
3.184503
Log P
3.5100796
Molar Refractivity
49.2406
Polarizability
19.261065
Polar Surface Area
20.23
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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