Molecule

ID:24727

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃S
Molecular Mass
129.18348
Exact Mass
129.03606824
Charge
0
InChI
InChI=1S/C4H7N3S/c5-1-3-2-8-4(6)7-3/h2H,1,5H2,(H2,6,7)
InChIKey
AXYHVVSEWSUNAI-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)N
Isomeric Smiles
n1c(scc1CN)N
Calculated Properties
JChem
Acid pKa
16.675224
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9259808
LogD (pH = 7.4)
-1.2813808
Log P
-0.30539703
Molar Refractivity
33.3913
Polarizability
12.632956
Polar Surface Area
64.93
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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