Molecule

ID:94103

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃IO
Molecular Mass
237.9470596
Exact Mass
237.91024734
Charge
0
InChI
InChI=1S/C3H2F3IO/c4-3(5,6)2(8)1-7/h1H2
InChIKey
HUZDFTLSPONZBB-UHFFFAOYSA-N
Canonic Smiles
ICC(=O)C(F)(F)F
Isomeric Smiles
O=C(C(F)(F)F)CI
Calculated Properties
JChem
Acid pKa
11.438174
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1841688
LogD (pH = 7.4)
2.1841297
Log P
2.1841693
Molar Refractivity
30.2888
Polarizability
11.78475
Polar Surface Area
17.07
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