Molecule

ID:9484

General Information
Structure
MolImage
Molecular Formula
C₄HF₆NO₃
Molecular Mass
225.0460592
Exact Mass
224.98606222
Charge
0
InChI
InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)
InChIKey
CYSAMXITKBXZOP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)NOC(=O)C(F)(F)F
Isomeric Smiles
O=C(NOC(=O)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
2.6085413
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.43544072
LogD (pH = 7.4)
0.43119025
Log P
1.3740802
Molar Refractivity
27.4024
Polarizability
10.515424
Polar Surface Area
55.4
Rotatable Bonds
4
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