Molecule

ID:117385

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃S
Molecular Mass
155.22076
Exact Mass
155.0517183
Charge
0
InChI
InChI=1S/C6H9N3S/c1-9(2)5-8-6-7-3-4-10-6/h3-5H,1-2H3/b8-5+
InChIKey
ZELZXDZNESXMHQ-VMPITWQZSA-N
Canonic Smiles
CN(/C=N/c1nccs1)C
Isomeric Smiles
c1(/N=C/N(C)C)nccs1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.45960987
LogD (pH = 7.4)
0.7549267
Log P
0.9225665
Molar Refractivity
43.5941
Polarizability
15.517453
Polar Surface Area
28.49
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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