Molecule

ID:33424

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄S
Molecular Mass
192.24092
Exact Mass
192.04696728
Charge
0
InChI
InChI=1S/C8H8N4S/c9-3-6-5-13-8(12-6)7-4-10-1-2-11-7/h1-2,4-5H,3,9H2
InChIKey
HHHJBCALZJNSBZ-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)c1cnccn1
Isomeric Smiles
c1(nc(cs1)CN)c1nccnc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.729836
LogD (pH = 7.4)
-1.0584476
Log P
-0.18544535
Molar Refractivity
59.6334
Polarizability
19.976545
Polar Surface Area
64.69
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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