Molecule

ID:69381

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂OS
Molecular Mass
128.15236
Exact Mass
128.00443376
Charge
0
InChI
InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey
ZEMGGZBWXRYJHK-UHFFFAOYSA-N
Canonic Smiles
O=c1cc[nH]c(=S)[nH]1
Isomeric Smiles
[nH]1c(=S)[nH]c(=O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.04
LogD (pH = 5.5)
0.03
Log P
0.03
Rotatable Bonds
0
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
8.10
Polar Surface Area
41.13
Polarizability
11.59
Molar Refractivity
33.96
LOG S
-2.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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