Molecule

ID:41167

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂F₃NO₅
Molecular Mass
319.2332896
Exact Mass
319.06675715
Charge
0
InChI
InChI=1S/C13H12F3NO5/c1-22-11(20)8-4-2-7(3-5-8)9(6-10(18)19)17-12(21)13(14,15)16/h2-5,9H,6H2,1H3,(H,17,21)(H,18,19)
InChIKey
NNFXBAVWSASERE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C(NC(=O)C(F)(F)F)CC(=O)O
Isomeric Smiles
C(=O)(NC(CC(=O)O)c1ccc(C(=O)OC)cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.8207495
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.06633739
LogD (pH = 7.4)
-2.2370756
Log P
1.8284296
Molar Refractivity
67.4649
Polarizability
25.346277
Polar Surface Area
92.7
Rotatable Bonds
7
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