Molecule

ID:60881

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN₅
Molecular Mass
205.1917232
Exact Mass
205.0763735
Charge
0
InChI
InChI=1S/C9H8FN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKey
CGCAZIWUCXRTKW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Nc1ncnc(n1)N
Isomeric Smiles
n1c(ncnc1N)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
12.910485
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.9224286
LogD (pH = 7.4)
1.9664133
Log P
1.9670058
Molar Refractivity
55.8166
Polarizability
19.250809
Polar Surface Area
76.72
Rotatable Bonds
2
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