Molecule

ID:71189

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂OS
Molecular Mass
166.20034
Exact Mass
166.02008382
Charge
0
InChI
InChI=1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9)
InChIKey
PFQJPSASUCHKRO-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(n1)c(O)ccc2
Isomeric Smiles
s1c(nc2c1cccc2O)N
Calculated Properties
JChem
Acid pKa
8.140615
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6543443
LogD (pH = 7.4)
1.5918883
Log P
1.6652305
Molar Refractivity
43.2833
Polarizability
17.350752
Polar Surface Area
59.14
Rotatable Bonds
0
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