Molecule

ID:88680

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Br₂
Molecular Mass
364.07448
Exact Mass
361.93057438
Charge
0
InChI
InChI=1S/C16H12Br2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKey
YHEMDXGFCREMGG-UHFFFAOYSA-N
Canonic Smiles
BrCc1c2ccccc2c(c2c1cccc2)CBr
Isomeric Smiles
BrCc1c2c(c(c3ccccc13)CBr)cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.497674
LogD (pH = 7.4)
5.497674
Log P
5.497674
Molar Refractivity
84.6592
Polarizability
34.148926
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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