Molecule

ID:90260

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Br₂
Molecular Mass
352.06378
Exact Mass
349.93057438
Charge
0
InChI
InChI=1S/C15H12Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
InChIKey
LONBOJIXBFUBKQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(C)(C)c1c2ccc(c1)Br
Isomeric Smiles
Brc1cc2c(cc1)c1c(cc(cc1)Br)C2(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8635907
LogD (pH = 7.4)
5.8635907
Log P
5.8635907
Molar Refractivity
89.6371
Polarizability
31.399101
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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