Molecule

ID:94485

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉BrF₂O₃
Molecular Mass
307.0881664
Exact Mass
305.97031259
Charge
0
InChI
InChI=1S/C11H9BrF2O3/c1-2-17-11(16)9(12)10(15)7-5-6(13)3-4-8(7)14/h3-5,9H,2H2,1H3
InChIKey
WZGZLLQOFLAHQM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)c1cc(F)ccc1F)Br
Isomeric Smiles
O=C(c1c(ccc(c1)F)F)C(Br)C(=O)OCC
Calculated Properties
JChem
Acid pKa
3.5983627
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.157194
LogD (pH = 7.4)
0.034280557
Log P
3.0361564
Molar Refractivity
60.1281
Polarizability
22.88128
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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