Molecule

ID:71474

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃OS
Molecular Mass
157.19358
Exact Mass
157.03098286
Charge
0
InChI
InChI=1S/C5H7N3OS/c1-10-5-7-3(6)2-4(9)8-5/h2H,1H3,(H3,6,7,8,9)
InChIKey
PXYQQKWEFDEUIX-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(N)cc(n1)O
Isomeric Smiles
c1c(nc(nc1O)SC)N
Calculated Properties
JChem
Acid pKa
12.402807
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4101616
LogD (pH = 7.4)
1.4131203
Log P
1.4131624
Molar Refractivity
42.7355
Polarizability
15.24195
Polar Surface Area
72.03
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
References
Bioactivity
Navigation