Molecule

ID:145407

General Information
Structure
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Molecular Formula
C₇H₇BrMgO
Molecular Mass
211.33888
Exact Mass
209.95306854
Charge
0
InChI
InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1
InChIKey
AJKNYEHIJAMGHX-UHFFFAOYSA-M
Canonic Smiles
COc1cccc(c1)[Mg]Br
Isomeric Smiles
COc1cccc(c1)[Mg]Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5346
LogD (pH = 7.4)
1.5346
Log P
1.5346
Molar Refractivity
40.6727
Polarizability
17.532372
Polar Surface Area
9.23
Rotatable Bonds
2
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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