Molecule

ID:35234

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄OS
Molecular Mass
210.2562
Exact Mass
210.05753196
Charge
0
InChI
InChI=1S/C8H10N4OS/c1-5-3-4-12(11-5)6(2)7-9-10-8(14)13-7/h3-4,6H,1-2H3,(H,10,14)
InChIKey
RQBQRWNNGGFVAG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn(n1)C(c1nnc(o1)S)C
Isomeric Smiles
c1(oc(nn1)S)C(n1nc(cc1)C)C
Calculated Properties
JChem
Acid pKa
6.7446113
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.63381636
LogD (pH = 7.4)
-0.01641038
Log P
0.6577768
Molar Refractivity
66.3951
Polarizability
20.347696
Polar Surface Area
56.74
Rotatable Bonds
2
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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