Molecule

ID:27713

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃S
Molecular Mass
143.21006
Exact Mass
143.0517183
Charge
0
InChI
InChI=1S/C5H9N3S/c1-3-8-4(2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
InChIKey
HMBNMNFOZXEMIL-UHFFFAOYSA-N
Canonic Smiles
CCn1c(C)nnc1S
Isomeric Smiles
n1(c(nnc1C)S)CC
Calculated Properties
JChem
Acid pKa
7.8231535
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37280035
LogD (pH = 7.4)
0.2423535
Log P
0.37533006
Molar Refractivity
40.7981
Polarizability
14.709358
Polar Surface Area
30.71
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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