Molecule

ID:136174

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂Br₂
Molecular Mass
388.09588
Exact Mass
385.93057438
Charge
0
InChI
InChI=1S/C18H12Br2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
InChIKey
VAIPJQIPFPRJKJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)Br
Isomeric Smiles
c1cc(ccc1c1ccc(cc1)Br)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.805202
LogD (pH = 7.4)
6.805202
Log P
6.805202
Molar Refractivity
91.576
Polarizability
37.517586
Polar Surface Area
0.0
Rotatable Bonds
2
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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