Molecule

ID:91965

General Information
Structure
MolImage
Molecular Formula
C₃H₂N₂OS
Molecular Mass
114.12578
Exact Mass
113.98878369
Charge
0
InChI
InChI=1S/C3H2N2OS/c6-1-3-2-7-5-4-3/h1-2H
InChIKey
JNEBZFFTOLBIKJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1csnn1
Isomeric Smiles
n1nc(cs1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.94902873
LogD (pH = 7.4)
0.9490289
Log P
0.9490289
Molar Refractivity
26.5548
Polarizability
9.328179
Polar Surface Area
42.85
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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