Molecule

ID:65815

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₃
Molecular Mass
328.8266
Exact Mass
325.79413616
Charge
0
InChI
InChI=1S/C7H5Br3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey
QFXJJFWSOLXOSE-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(Br)cccc1Br
Isomeric Smiles
c1(cccc(c1CBr)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2834883
LogD (pH = 7.4)
4.2834883
Log P
4.2834883
Molar Refractivity
54.154
Polarizability
21.039696
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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