Molecule

ID:79207

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅S
Molecular Mass
181.21828
Exact Mass
181.04221625
Charge
0
InChI
InChI=1S/C6H7N5S/c1-12-6-9-5-8-3-2-4(7)11(5)10-6/h2-3H,7H2,1H3
InChIKey
FGMSPURIYNZJKH-UHFFFAOYSA-N
Canonic Smiles
CSc1nn2c(n1)nccc2N
Isomeric Smiles
n12c(nc(n1)SC)nccc2N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7799199
LogD (pH = 7.4)
0.7799208
Log P
0.7799208
Molar Refractivity
60.2635
Polarizability
17.614603
Polar Surface Area
69.1
Rotatable Bonds
1
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