Molecule

ID:86986

General Information
Structure
MolImage
Molecular Formula
C₈H₉Br
Molecular Mass
185.06106
Exact Mass
183.98876229
Charge
0
InChI
InChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
InChIKey
ZRFJYAZQMFCUIX-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)Br
Isomeric Smiles
Brc1cc(ccc1)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6999886
LogD (pH = 7.4)
3.6999886
Log P
3.6999886
Molar Refractivity
43.323
Polarizability
16.654518
Polar Surface Area
0.0
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
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Molecule Details
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References
Bioactivity
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