Molecule

ID:98082

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BFNO₃
Molecular Mass
239.0511032
Exact Mass
239.11290197
Charge
0
InChI
InChI=1S/C11H15BFNO3/c1-2-3-6-14-11(15)8-4-5-10(13)9(7-8)12(16)17/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15)
InChIKey
YFCRSIAYLGXFOB-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1ccc(c(c1)B(O)O)F
Isomeric Smiles
B(c1c(ccc(c1)C(=O)NCCCC)F)(O)O
Calculated Properties
JChem
Acid pKa
8.05705
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.8831036
LogD (pH = 7.4)
1.7982335
Log P
1.8843
Molar Refractivity
58.6686
Polarizability
23.447086
Polar Surface Area
69.56
Rotatable Bonds
5
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