Molecule

ID:87199

General Information
Structure
Molecular Formula
C₆H₄Br₂O₂
Molecular Mass
267.90276
Exact Mass
265.85780337
Charge
0
InChI
InChI=1S/C6H4Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
InChIKey
VALXCIRMSIFPFN-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(Br)c(cc1Br)O
Isomeric Smiles
Oc1c(cc(c(c1)Br)O)Br
Calculated Properties
JChem
Acid pKa
7.6769004
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9007587
LogD (pH = 7.4)
2.7197673
Log P
2.9036205
Molar Refractivity
45.2654
Polarizability
17.651976
Polar Surface Area
40.46
Rotatable Bonds
0
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