Molecule

ID:13050

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃S₂
Molecular Mass
147.2219
Exact Mass
146.99248918
Charge
0
InChI
InChI=1S/C3H5N3S2/c1-4-2-5-6-3(7)8-2/h1H3,(H,4,5)(H,6,7)
InChIKey
JMRAYTPNXKJWAX-UHFFFAOYSA-N
Canonic Smiles
CNc1nnc(s1)S
Isomeric Smiles
n1nc(sc1NC)S
Calculated Properties
JChem
Acid pKa
6.7220907
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6584582
LogD (pH = 7.4)
-0.0065609743
Log P
0.6827772
Molar Refractivity
38.5394
Polarizability
13.378212
Polar Surface Area
37.81
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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