Molecule

ID:102424

General Information
Structure
Molecular Formula
C₅H₄N₄OS₂
Molecular Mass
200.24146
Exact Mass
199.98265277
Charge
0
InChI
InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKey
NDSUZZIWNBVBKW-UHFFFAOYSA-N
Canonic Smiles
Sc1nc(O)c2c(n1)nc([nH]2)S
Isomeric Smiles
Oc1c2[nH]c(S)nc2nc(S)n1
Calculated Properties
JChem
Acid pKa
7.150884
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
1.4923495
LogD (pH = 7.4)
1.1011195
Log P
1.5013407
Molar Refractivity
50.9389
Polarizability
19.006746
Polar Surface Area
74.69
Rotatable Bonds
0
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
References
Bioactivity
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