Molecule
ID:36684
General Information
Molecular Formula
C₈H₁₀N₄OS
Molecular Mass
210.2562
Exact Mass
210.05753196
Charge
0
InChI
InChI=1S/C8H10N4OS/c1-4-2-3-5(13-4)6-10-7(9)12-8(14)11-6/h2-3,6H,1H3,(H4,9,10,11,12,14)
InChIKey
NJKCKODKPULONY-UHFFFAOYSA-N
Canonic Smiles
SC1=NC(=NC(N1)c1ccc(o1)C)N
Isomeric Smiles
N1=C(N=C(NC1c1oc(cc1)C)S)N
Calculated Properties
JChem
Acid pKa
2.2157054
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.6467923
LogD (pH = 7.4)
1.6470143
Log P
1.6470146
Molar Refractivity
54.9283
Polarizability
20.608809
Polar Surface Area
75.91
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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