Molecule

ID:131921

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄F₃NO₃
Molecular Mass
241.2075696
Exact Mass
241.09257797
Charge
0
InChI
InChI=1S/C9H14F3NO3/c1-5(2)4-6(7(14)16-3)13-8(15)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,15)/t6-/m0/s1
InChIKey
UNGWNSXRWVHTFF-LURJTMIESA-N
Canonic Smiles
COC(=O)[C@@H](NC(=O)C(F)(F)F)CC(C)C
Isomeric Smiles
CC(C)C[C@@H](C(=O)OC)NC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
5.2402964
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4042991
LogD (pH = 7.4)
0.85212296
Log P
1.7724681
Molar Refractivity
49.394
Polarizability
18.907265
Polar Surface Area
55.4
Rotatable Bonds
6
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