Molecule

ID:43860

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃S
Molecular Mass
141.19418
Exact Mass
141.03606824
Charge
0
InChI
InChI=1S/C5H7N3S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H2,6,7,8)
InChIKey
PWMKMGJWPFSQIE-UHFFFAOYSA-N
Canonic Smiles
Nc1snc(n1)C1CC1
Isomeric Smiles
n1c(nsc1N)C1CC1
Calculated Properties
JChem
Acid pKa
14.410372
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3143588
LogD (pH = 7.4)
1.3148036
Log P
1.3148093
Molar Refractivity
37.277
Polarizability
13.160948
Polar Surface Area
51.8
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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