Molecule

ID:78911

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄S
Molecular Mass
156.20882
Exact Mass
156.04696728
Charge
0
InChI
InChI=1S/C5H8N4S/c1-9(2)3-6-5-8-7-4-10-5/h3-4H,1-2H3
InChIKey
PYQFJCKYTMMIEL-UHFFFAOYSA-N
Canonic Smiles
CN(/C=N/c1scnn1)C
Isomeric Smiles
N(=C\N(C)C)/c1nncs1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.7075625
LogD (pH = 7.4)
0.012556226
Log P
0.038819753
Molar Refractivity
43.7169
Polarizability
14.705725
Polar Surface Area
41.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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