Molecule

ID:52251

General Information
Structure
MolImage
Molecular Formula
C₄H₉N₃S
Molecular Mass
131.19936
Exact Mass
131.0517183
Charge
0
InChI
InChI=1S/C4H9N3S/c1-2-3-6-4(8)7-5/h2H,1,3,5H2,(H2,6,7,8)
InChIKey
CZLPCLANGIXFIE-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)NCC=C
Isomeric Smiles
NNC(=S)NCC=C
Calculated Properties
JChem
Acid pKa
13.8982935
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
0.17489098
LogD (pH = 7.4)
0.18436365
Log P
0.18448591
Molar Refractivity
39.677
Polarizability
14.997867
Polar Surface Area
50.08
Rotatable Bonds
2
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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