Molecule

ID:36966

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃S
Molecular Mass
155.22076
Exact Mass
155.0517183
Charge
0
InChI
InChI=1S/C6H9N3S/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKey
XXVJBOUBVBZMNM-UHFFFAOYSA-N
Canonic Smiles
CCSc1nccc(n1)N
Isomeric Smiles
n1c(nccc1N)SCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.96337223
LogD (pH = 7.4)
1.3662494
Log P
1.3753002
Molar Refractivity
45.2389
Polarizability
16.435616
Polar Surface Area
51.8
Rotatable Bonds
2
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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