Molecule

ID:85773

General Information
Structure
Molecular Formula
C₂H₂Br₄
Molecular Mass
345.65328
Exact Mass
341.68899806
Charge
0
InChI
InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H
InChIKey
QXSZNDIIPUOQMB-UHFFFAOYSA-N
Canonic Smiles
BrC(C(Br)Br)Br
Isomeric Smiles
BrC(C(Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9969655
LogD (pH = 7.4)
1.9969655
Log P
1.9969655
Molar Refractivity
42.0302
Polarizability
16.9542
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation