Molecule

ID:71225

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrFO
Molecular Mass
243.0723232
Exact Mass
241.9742551
Charge
0
InChI
InChI=1S/C10H8BrFO/c11-9-5-6(12)4-8-7(9)2-1-3-10(8)13/h4-5H,1-3H2
InChIKey
DFSSIANNMNXABV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c2c(c1)C(=O)CCC2
Isomeric Smiles
C1(=O)CCCc2c(cc(cc12)F)Br
Calculated Properties
JChem
Acid pKa
16.323856
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1925793
LogD (pH = 7.4)
3.1925793
Log P
3.1925793
Molar Refractivity
52.1659
Polarizability
19.611576
Polar Surface Area
17.07
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
暂无数据
点击上传数据
References
Bioactivity
Navigation