Molecule

ID:113658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃N₃O₂
Molecular Mass
261.2005096
Exact Mass
261.07251124
Charge
0
InChI
InChI=1S/C10H10F3N3O2/c11-10(12,13)7-4-2-1-3-6(7)9(18)15-5-8(17)16-14/h1-4H,5,14H2,(H,15,18)(H,16,17)
InChIKey
WUBIJSKYXHYREU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNC(=O)c1ccccc1C(F)(F)F
Isomeric Smiles
C(c1c(C(=O)NCC(=O)NN)cccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
10.896753
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.29902306
LogD (pH = 7.4)
0.29983938
Log P
0.29997566
Molar Refractivity
58.3977
Polarizability
20.844324
Polar Surface Area
84.22
Rotatable Bonds
4
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