Molecule

ID:8769

General Information
Structure
Molecular Formula
C₅H₅F₃N₄O
Molecular Mass
194.1146096
Exact Mass
194.04154546
Charge
0
InChI
InChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11)
InChIKey
RXJGGWLLRAKHDL-UHFFFAOYSA-N
Canonic Smiles
Nn1c(N)nc(cc1=O)C(F)(F)F
Isomeric Smiles
n1(c(nc(cc1=O)C(F)(F)F)N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.28410023
LogD (pH = 7.4)
-0.2816094
Log P
-0.28157753
Molar Refractivity
39.1532
Polarizability
13.2628975
Polar Surface Area
84.71
Rotatable Bonds
1
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