Molecule

ID:135860

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅S
Molecular Mass
182.21093484
Exact Mass
182.04557109
Charge
0
InChI
InChI=1S/C6H7N5S/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H3,7,8,9,10,11)/i1+1
InChIKey
FXGXEFXCWDTSQK-OUBTZVSYSA-N
Canonic Smiles
[13CH3]Sc1nc(N)c2c(n1)nc[nH]2
Isomeric Smiles
[13CH3]Sc1nc(c2c(n1)nc[nH]2)N
Calculated Properties
JChem
Acid pKa
10.477147
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7333901
LogD (pH = 7.4)
0.7332048
Log P
0.7335329
Molar Refractivity
50.9244
Polarizability
18.273117
Polar Surface Area
80.48
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
References
Bioactivity
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