Molecule

ID:11699

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂OS
Molecular Mass
116.14166
Exact Mass
116.00443376
Charge
0
InChI
InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChIKey
HYMJHROUVPWYNQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC(=N)N1
Isomeric Smiles
N1C(=N)SCC1=O
Calculated Properties
JChem
Acid pKa
8.918161
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.26545858
LogD (pH = 7.4)
-0.27658176
Log P
-0.26510274
Molar Refractivity
38.0116
Polarizability
10.620631
Polar Surface Area
52.95
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
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Molecule Details
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References
Bioactivity
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