Molecule

ID:98830

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₃O₂
Molecular Mass
202.1300096
Exact Mass
202.02416406
Charge
0
InChI
InChI=1S/C9H5F3O2/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-5H
InChIKey
QZIUSAUIKVMLEX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)C(=O)C(F)(F)F
Isomeric Smiles
O=C(c1ccc(cc1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3757243
LogD (pH = 7.4)
2.3757243
Log P
2.3757243
Molar Refractivity
44.055
Polarizability
15.443925
Polar Surface Area
34.14
Rotatable Bonds
3
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