Molecule

ID:14926

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄S
Molecular Mass
192.24092
Exact Mass
192.04696728
Charge
0
InChI
InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)
InChIKey
ACDUEIIMRXEFHO-UHFFFAOYSA-N
Canonic Smiles
Cn1c(S)nnc1c1ccncc1
Isomeric Smiles
c1(c2ccncc2)n(c(nn1)S)C
Calculated Properties
JChem
Acid pKa
7.662753
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.69054663
LogD (pH = 7.4)
0.52198476
Log P
0.7025552
Molar Refractivity
64.5535
Polarizability
20.461985
Polar Surface Area
43.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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