Molecule

ID:91159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Br₂
Molecular Mass
299.98922
Exact Mass
297.89927426
Charge
0
InChI
InChI=1S/C11H8Br2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-6H,7H2
InChIKey
DQTOCXIHYIQHCK-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc2c(c1Br)cccc2
Isomeric Smiles
Brc1c(ccc2ccccc12)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5042124
LogD (pH = 7.4)
4.5042124
Log P
4.5042124
Molar Refractivity
62.9814
Polarizability
25.062702
Polar Surface Area
0.0
Rotatable Bonds
1
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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