Molecule

ID:97169

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BF₂O₂
Molecular Mass
226.0275264
Exact Mass
226.0976665
Charge
0
InChI
InChI=1S/C11H13BF2O2/c1-11(2)6-15-12(16-7-11)8-3-9(13)5-10(14)4-8/h3-5H,6-7H2,1-2H3
InChIKey
OLHRAEPCGZMMTI-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COB(OC1)c1cc(F)cc(c1)F
Isomeric Smiles
B1(c2cc(cc(c2)F)F)OCC(CO1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3568
LogD (pH = 7.4)
4.3568
Log P
4.3568
Molar Refractivity
51.6566
Polarizability
21.542362
Polar Surface Area
18.46
Rotatable Bonds
1
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