Molecule

ID:123061

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClN₃OS
Molecular Mass
263.70284
Exact Mass
262.99201051
Charge
0
InChI
InChI=1S/C11H6ClN3OS/c12-7-3-1-2-5-8(7)14-4-6-9(5)17-11(13)15-10(6)16/h1-4H,(H2,13,15,16)
InChIKey
ICCWABLWUHWPTE-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(=O)c2c(s1)c1cccc(c1nc2)Cl
Isomeric Smiles
n1c(=O)c2c(sc1N)c1c(nc2)c(Cl)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9704685
LogD (pH = 7.4)
1.9704767
Log P
1.9704769
Molar Refractivity
67.1941
Polarizability
26.766142
Polar Surface Area
68.34
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation