Molecule

ID:92569

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO
Molecular Mass
223.06598
Exact Mass
221.96802684
Charge
0
InChI
InChI=1S/C10H7BrO/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H
InChIKey
YWWTWWDBLGSPAA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1c1ccco1
Isomeric Smiles
o1cccc1c1ccccc1Br
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
20.831244
Polar Surface Area
13.14
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
No Data Available
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Molecule Details
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References
Bioactivity
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