Molecule

ID:7272

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O₃
Molecular Mass
158.0759096
Exact Mass
158.01907868
Charge
0
InChI
InChI=1S/C4H5F3O3/c1-10-3(9)2(8)4(5,6)7/h2,8H,1H3
InChIKey
ORNQCBRCAKLZDO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)O
Isomeric Smiles
O=C(OC)C(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
9.0822735
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.27223933
LogD (pH = 7.4)
0.26342806
Log P
0.2723528
Molar Refractivity
24.3104
Polarizability
9.504963
Polar Surface Area
46.53
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