Molecule

ID:97302

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₃
Molecular Mass
220.1452896
Exact Mass
220.03472874
Charge
0
InChI
InChI=1S/C9H7F3O3/c1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12/h2-5H,1H3
InChIKey
YWSQRIKZJLRGPT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OC(F)(F)F
Isomeric Smiles
O(C(=O)c1cc(ccc1)OC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4078343
LogD (pH = 7.4)
3.4078343
Log P
3.4078343
Molar Refractivity
41.1536
Polarizability
16.824715
Polar Surface Area
35.53
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
References
Bioactivity
Navigation