Molecule

ID:44201

General Information
Structure
Molecular Formula
C₈H₉F₂N₃O
Molecular Mass
201.1733664
Exact Mass
201.07136836
Charge
0
InChI
InChI=1S/C8H9F2N3O/c9-5-1-2-7(6(10)3-5)12-4-8(14)13-11/h1-3,12H,4,11H2,(H,13,14)
InChIKey
MYMHLHGCFXJPQD-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNc1ccc(cc1F)F
Isomeric Smiles
C(=O)(NN)CNc1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
11.018917
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.10492452
LogD (pH = 7.4)
0.105885044
Log P
0.10599282
Molar Refractivity
49.0755
Polarizability
17.310247
Polar Surface Area
67.15
Rotatable Bonds
3
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