Molecule

ID:89833

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂
Molecular Mass
263.95712
Exact Mass
261.89927426
Charge
0
InChI
InChI=1S/C8H8Br2/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3
InChIKey
RRBOULIORCZELO-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1C)Br
Isomeric Smiles
BrCc1c(cc(cc1)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.028157
LogD (pH = 7.4)
4.028157
Log P
4.028157
Molar Refractivity
51.5724
Polarizability
19.580915
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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