Molecule

ID:71874

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₆S
Molecular Mass
246.2916
Exact Mass
246.06876535
Charge
0
InChI
InChI=1S/C10H10N6S/c11-16-9(13-14-10(16)17)5-15-6-12-7-3-1-2-4-8(7)15/h1-4,6H,5,11H2,(H,14,17)
InChIKey
ZBTHQOODFXDNOF-UHFFFAOYSA-N
Canonic Smiles
Nn1c(S)nnc1Cn1cnc2c1cccc2
Isomeric Smiles
n1(c(nnc1Cn1cnc2c1cccc2)S)N
Calculated Properties
JChem
Acid pKa
7.673901
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.26883548
LogD (pH = 7.4)
-0.16964011
Log P
0.013756125
Molar Refractivity
70.3537
Polarizability
26.131845
Polar Surface Area
74.55
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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