Molecule

ID:78147

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂OS
Molecular Mass
128.15236
Exact Mass
128.00443376
Charge
0
InChI
InChI=1S/C4H4N2OS/c5-4(8)3-1-7-2-6-3/h1-2H,(H2,5,8)
InChIKey
FLQJZCFWXSBVDA-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cocn1
Isomeric Smiles
n1cocc1C(=S)N
Calculated Properties
JChem
Acid pKa
11.716053
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.041497618
LogD (pH = 7.4)
0.041516125
Log P
0.041497406
Molar Refractivity
33.4647
Polarizability
12.541321
Polar Surface Area
52.05
Rotatable Bonds
1
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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