Molecule

ID:70664

General Information
Structure
MolImage
Molecular Formula
C₂₅H₁₄Br₂
Molecular Mass
474.18666
Exact Mass
471.94622445
Charge
0
InChI
InChI=1S/C25H14Br2/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
InChIKey
UPJLZKCEPFAKSH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C1(c3ccccc3c3c1cccc3)c1c2ccc(c1)Br
Isomeric Smiles
C12(c3cc(ccc3c3ccc(cc13)Br)Br)c1ccccc1c1ccccc21
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.805178
LogD (pH = 7.4)
7.805178
Log P
7.805178
Molar Refractivity
118.4109
Polarizability
47.38614
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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