Molecule

ID:95771

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₄O₃
Molecular Mass
326.6596096
Exact Mass
326.03935254
Charge
0
InChI
InChI=1S/C10H10ClF3N4O3/c1-2-21-8(20)5-4-15-9(18-17-6(19)3-11)16-7(5)10(12,13)14/h4H,2-3H2,1H3,(H,17,19)(H,15,16,18)
InChIKey
LYRISHJWUBYYMS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1C(F)(F)F)NNC(=O)CCl
Isomeric Smiles
n1c(c(cnc1NNC(=O)CCl)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.605788
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.9884876
LogD (pH = 7.4)
1.9861304
Log P
1.988518
Molar Refractivity
67.8856
Polarizability
24.382936
Polar Surface Area
93.21
Rotatable Bonds
7
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