Molecule

ID:99786

General Information
Structure
Molecular Formula
C₆H₁₀F₃NO₂
Molecular Mass
185.1443096
Exact Mass
185.06636323
Charge
0
InChI
InChI=1S/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKey
RUEWGWBXZIDRJY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CCCC(F)(F)F)N
Isomeric Smiles
FC(CCCC(C(=O)O)N)(F)F
Calculated Properties
JChem
Acid pKa
1.8244522
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2394423
LogD (pH = 7.4)
-1.2423873
Log P
-1.2394738
Molar Refractivity
35.0066
Polarizability
13.485125
Polar Surface Area
63.32
Rotatable Bonds
5
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