Molecule

ID:95441

General Information
Structure
Molecular Formula
C₁₀H₁₀BrFO₂
Molecular Mass
261.0876032
Exact Mass
259.98481978
Charge
0
InChI
InChI=1S/C10H10BrFO2/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3
InChIKey
IOZFTNUPLPETKT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccc(cc1)F)Br
Isomeric Smiles
O=C(C(c1ccc(cc1)F)Br)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0813267
LogD (pH = 7.4)
3.0813267
Log P
3.0813267
Molar Refractivity
54.4724
Polarizability
21.015606
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