Molecule

ID:94546

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₂O₃
Molecular Mass
200.1389464
Exact Mass
200.02850049
Charge
0
InChI
InChI=1S/C9H6F2O3/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-4H,1H3
InChIKey
FXQWZAIGWRETAQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc2c1OC(O2)(F)F
Isomeric Smiles
O1c2cccc(c2OC1(F)F)C(=O)C
Calculated Properties
JChem
Acid pKa
15.322862
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5468712
LogD (pH = 7.4)
2.5468712
Log P
2.5468712
Molar Refractivity
40.2976
Polarizability
16.213917
Polar Surface Area
35.53
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