Molecule

ID:78144

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂OS
Molecular Mass
142.17894
Exact Mass
142.02008382
Charge
0
InChI
InChI=1S/C5H6N2OS/c1-3-7-4(2-8-3)5(6)9/h2H,1H3,(H2,6,9)
InChIKey
IWWCFZYMVZDVHG-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)C(=S)N
Isomeric Smiles
n1c(C)occ1C(=S)N
Calculated Properties
JChem
Acid pKa
11.845896
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.16456217
LogD (pH = 7.4)
0.16457602
Log P
0.16456214
Molar Refractivity
37.9054
Polarizability
14.300155
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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