Molecule
ID:123177
General Information
Molecular Formula
C₁₀H₉FN₄O
Molecular Mass
220.2030632
Exact Mass
220.07603915
Charge
0
InChI
InChI=1S/C10H9FN4O/c11-7-3-1-2-5-8(12)6(10(16)15-13)4-14-9(5)7/h1-4H,13H2,(H2,12,14)(H,15,16)
InChIKey
IWOBWLWLSJFKQL-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cnc2c1cccc2F)C(=O)NN
Isomeric Smiles
c1(c(c2c(nc1)c(F)ccc2)N)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.806378
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.64699
LogD (pH = 7.4)
0.64881754
Log P
0.6488411
Molar Refractivity
58.4586
Polarizability
22.01552
Polar Surface Area
94.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...