Molecule

ID:36151

General Information
Structure
Molecular Formula
C₄H₄N₂OS
Molecular Mass
128.15236
Exact Mass
128.00443376
Charge
0
InChI
InChI=1S/C4H4N2OS/c5-4-6-1-3(2-7)8-4/h1-2H,(H2,5,6)
InChIKey
HZKMBJCDAXLMDN-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(s1)C=O
Isomeric Smiles
c1(ncc(s1)C=O)N
Calculated Properties
JChem
Acid pKa
15.763515
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.32740942
LogD (pH = 7.4)
0.33224237
Log P
0.33230442
Molar Refractivity
31.8082
Polarizability
11.256392
Polar Surface Area
55.98
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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