Molecule

ID:120397

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂BrFO₂
Molecular Mass
323.1569832
Exact Mass
322.00046984
Charge
0
InChI
InChI=1S/C15H12BrFO2/c1-19-13-8-7-11(9-12(13)17)15(18)14(16)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKey
QYJSFUBOTZZDPO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)C(=O)C(c1ccccc1)Br
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)F)C(c1ccccc1)Br
Calculated Properties
JChem
Acid pKa
14.238911
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1751924
LogD (pH = 7.4)
4.1751924
Log P
4.1751924
Molar Refractivity
75.235
Polarizability
28.56641
Polar Surface Area
26.3
Rotatable Bonds
4
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