Molecule

ID:99895

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O₂
Molecular Mass
172.1288464
Exact Mass
172.03358587
Charge
0
InChI
InChI=1S/C8H6F2O2/c1-12-6-3-2-5(4-11)7(9)8(6)10/h2-4H,1H3
InChIKey
UBBBLLSKHCENQZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1F)F)C=O
Isomeric Smiles
O=Cc1c(c(c(cc1)OC)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8134807
LogD (pH = 7.4)
1.8134807
Log P
1.8134807
Molar Refractivity
39.538
Polarizability
14.271355
Polar Surface Area
26.3
Rotatable Bonds
2
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