Molecule

ID:6842

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂S
Molecular Mass
218.2500832
Exact Mass
218.03139745
Charge
0
InChI
InChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2
InChIKey
TYZQYMLLLAZYPN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1sc(cc1N)c1ccc(cc1)F
Isomeric Smiles
c1c(c(sc1c1ccc(cc1)F)C#N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.699931
LogD (pH = 7.4)
2.699931
Log P
2.699931
Molar Refractivity
58.5066
Polarizability
22.546045
Polar Surface Area
49.81
Rotatable Bonds
1
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