Molecule

ID:60268

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃S
Molecular Mass
155.22076
Exact Mass
155.0517183
Charge
0
InChI
InChI=1S/C6H9N3S/c1-9-6(7)4-2-10-3-5(4)8-9/h2-3,7H2,1H3
InChIKey
KGKMOASZDHGIJC-UHFFFAOYSA-N
Canonic Smiles
Nc1n(C)nc2c1CSC2
Isomeric Smiles
c12c(n(nc1CSC2)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.053006884
LogD (pH = 7.4)
0.05385425
Log P
0.053865064
Molar Refractivity
54.5906
Polarizability
16.054573
Polar Surface Area
43.84
Rotatable Bonds
0
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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