Molecule

ID:77534

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃S
Molecular Mass
141.19418
Exact Mass
141.03606824
Charge
0
InChI
InChI=1S/C5H7N3S/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)
InChIKey
ZDISBPCSJYBKFJ-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(nn1)N
Isomeric Smiles
n1nc(ccc1SC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.76104563
LogD (pH = 7.4)
0.7639722
Log P
0.76400965
Molar Refractivity
41.8507
Polarizability
14.59173
Polar Surface Area
51.8
Rotatable Bonds
1
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
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References
Bioactivity
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