Molecule

ID:115794

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN₃O₂
Molecular Mass
209.1771232
Exact Mass
209.06005473
Charge
0
InChI
InChI=1S/C9H8FN3O2/c10-6-2-1-3-7(4-6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKey
ZHZSQDHEOWOOJR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OCc1nnc(o1)N
Isomeric Smiles
o1c(nnc1COc1cc(F)ccc1)N
Calculated Properties
JChem
Acid pKa
11.507273
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5926794
LogD (pH = 7.4)
0.5926479
Log P
0.59267986
Molar Refractivity
51.7765
Polarizability
18.50773
Polar Surface Area
74.17
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