Molecule

ID:87153

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Br₂
Molecular Mass
336.02132
Exact Mass
333.89927426
Charge
0
InChI
InChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey
BRUOAURMAFDGLP-UHFFFAOYSA-N
Canonic Smiles
Brc1c2ccccc2c(c2c1cccc2)Br
Isomeric Smiles
Brc1c2c(c(c3ccccc13)Br)cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4897046
LogD (pH = 7.4)
5.4897046
Log P
5.4897046
Molar Refractivity
74.204
Polarizability
30.69535
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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