Molecule

ID:103018

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂S
Molecular Mass
100.14226
Exact Mass
100.00951914
Charge
0
InChI
InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N
Canonic Smiles
N=c1scc[nH]1
Isomeric Smiles
N=c1[nH]ccs1
Calculated Properties
JChem
Acid pKa
11.695955
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8549083
LogD (pH = 7.4)
-0.76897657
Log P
0.48977092
Molar Refractivity
37.4035
Polarizability
10.240879
Polar Surface Area
35.88
Rotatable Bonds
0
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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