Molecule

ID:35488

General Information
Structure
Molecular Formula
C₆H₉N₅S
Molecular Mass
183.23416
Exact Mass
183.05786631
Charge
0
InChI
InChI=1S/C6H9N5S/c1-3(2)4-8-9-6-11(4)10-5(7)12-6/h3H,1-2H3,(H2,7,10)
InChIKey
YUIKTSIKJCEXMM-UHFFFAOYSA-N
Canonic Smiles
Nc1nn2c(s1)nnc2C(C)C
Isomeric Smiles
n12c(sc(n2)N)nnc1C(C)C
Calculated Properties
JChem
Acid pKa
14.586151
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0441536
LogD (pH = 7.4)
1.0441564
Log P
1.0441564
Molar Refractivity
69.6411
Polarizability
16.912588
Polar Surface Area
69.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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