Molecule

ID:58005

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃OS
Molecular Mass
193.22568
Exact Mass
193.03098286
Charge
0
InChI
InChI=1S/C8H7N3OS/c9-11-7(12)5-3-1-2-4-6(5)10-8(11)13/h1-4H,9H2,(H,10,13)
InChIKey
FRPVOZIFQMSLTJ-UHFFFAOYSA-N
Canonic Smiles
Nn1c(=S)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=S)[nH]c2c(c1=O)cccc2)N
Calculated Properties
JChem
Acid pKa
5.4309177
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6772486
LogD (pH = 7.4)
0.7677963
Log P
1.9903414
Molar Refractivity
56.2511
Polarizability
20.270977
Polar Surface Area
58.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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