Molecule

ID:88821

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br
Molecular Mass
181.0293
Exact Mass
179.95746216
Charge
0
InChI
InChI=1S/C8H5Br/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChIKey
RVDOYUFNRDGYGU-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccccc1Br
Isomeric Smiles
Brc1c(cccc1)C#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8928337
LogD (pH = 7.4)
2.8928337
Log P
2.8928337
Molar Refractivity
38.8531
Polarizability
15.646199
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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