Molecule
ID:33916
General Information
Molecular Formula
C₈H₈N₄OS
Molecular Mass
208.24032
Exact Mass
208.0418819
Charge
0
InChI
InChI=1S/C8H8N4OS/c9-5-4-2-1-3-11-8(4)14-6(5)7(13)12-10/h1-3H,9-10H2,(H,12,13)
InChIKey
OUWZLWNYPMYNNH-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc2c(c1N)cccn2
Isomeric Smiles
c1(sc2c(c1N)cccn2)C(=O)NN
Calculated Properties
JChem
Acid pKa
15.132416
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.50602627
LogD (pH = 7.4)
0.5067293
Log P
0.5067383
Molar Refractivity
55.2408
Polarizability
20.373837
Polar Surface Area
94.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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