Molecule

ID:78477

General Information
Structure
Molecular Formula
C₆H₈N₄S
Molecular Mass
168.21952
Exact Mass
168.04696728
Charge
0
InChI
InChI=1S/C6H8N4S/c7-10-6(11)9-5-2-1-3-8-4-5/h1-4H,7H2,(H2,9,10,11)
InChIKey
IZZXENNHSGUQCV-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)Nc1cccnc1
Isomeric Smiles
n1cc(ccc1)NC(=S)NN
Calculated Properties
JChem
Acid pKa
9.377096
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.21541108
LogD (pH = 7.4)
0.24830882
Log P
0.2531321
Molar Refractivity
49.9158
Polarizability
18.402962
Polar Surface Area
62.97
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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