Molecule

ID:98246

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄F₃NO₄
Molecular Mass
257.2069696
Exact Mass
257.08749259
Charge
0
InChI
InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(15)13-5(6(14)16-4)9(10,11)12/h5H,1-4H3,(H,13,15)
InChIKey
ABVSNZKOIMDOKW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)NC(=O)OC(C)(C)C
Isomeric Smiles
O(C)C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
10.041131
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6575574
LogD (pH = 7.4)
1.6566904
Log P
1.6575685
Molar Refractivity
50.8409
Polarizability
19.706121
Polar Surface Area
64.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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