Molecule

ID:83377

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Br₂
Molecular Mass
340.05308
Exact Mass
337.93057438
Charge
0
InChI
InChI=1S/C14H12Br2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8H,9-10H2
InChIKey
VDXGURZGBXUKES-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccccc1c1ccccc1CBr
Isomeric Smiles
BrCc1c(cccc1)c1c(cccc1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.165946
LogD (pH = 7.4)
5.165946
Log P
5.165946
Molar Refractivity
76.895
Polarizability
30.172117
Polar Surface Area
0.0
Rotatable Bonds
3
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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