Molecule

ID:115288

General Information
Structure
Molecular Formula
C₁₃H₁₁FN₄S
Molecular Mass
274.3166432
Exact Mass
274.06884559
Charge
0
InChI
InChI=1S/C13H11FN4S/c1-8-6-12(15)18(17-8)13-16-11(7-19-13)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKey
OPLHUUBQKXILFQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1csc(n1)n1nc(cc1N)C
Isomeric Smiles
n1(c2nc(cs2)c2ccc(cc2)F)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9635725
LogD (pH = 7.4)
2.9695432
Log P
2.96962
Molar Refractivity
72.6272
Polarizability
28.023172
Polar Surface Area
56.73
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