Molecule
ID:79927
General Information
Molecular Formula
C₈H₉Br
Molecular Mass
185.06106
Exact Mass
183.98876229
Charge
0
InChI
InChI=1S/C8H9Br/c9-8-4-6-1-2-7(3-6)5-8/h1-2,4,6-7H,3,5H2
InChIKey
XZYBMUGLFQCKOK-UHFFFAOYSA-N
Canonic Smiles
BrC1=CC2CC(C1)C=C2
Isomeric Smiles
BrC1=CC2C=CC(C1)C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2994444
LogD (pH = 7.4)
2.2994444
Log P
2.2994444
Molar Refractivity
44.8224
Polarizability
16.199078
Polar Surface Area
0.0
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
No Data Available
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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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