Molecule

ID:83010

General Information
Structure
Molecular Formula
C₉H₈Br₂O₂
Molecular Mass
307.96662
Exact Mass
305.8891035
Charge
0
InChI
InChI=1S/C9H8Br2O2/c1-2-13-9-6(5-12)3-7(10)4-8(9)11/h3-5H,2H2,1H3
InChIKey
MHBMBLXXEWUFSQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(Br)cc(cc1C=O)Br
Isomeric Smiles
O=Cc1cc(cc(c1OCC)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.42239
LogD (pH = 7.4)
3.42239
Log P
3.42239
Molar Refractivity
59.0994
Polarizability
22.498537
Polar Surface Area
26.3
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation