Molecule
ID:92520
General Information
Molecular Formula
C₁₀H₇BrO
Molecular Mass
223.06598
Exact Mass
221.96802684
Charge
0
InChI
InChI=1S/C10H7BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKey
FBIKSVALROQWIY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1ccco1
Isomeric Smiles
o1cccc1c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4494705
LogD (pH = 7.4)
3.4494705
Log P
3.4494705
Molar Refractivity
51.2079
Polarizability
20.826225
Polar Surface Area
13.14
Rotatable Bonds
1
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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