Molecule

ID:50936

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅O₂S
Molecular Mass
267.30752
Exact Mass
267.07899568
Charge
0
InChI
InChI=1S/C10H13N5O2S/c1-14(17-2)5-8-6-18-9(12-8)13-10(16)15-4-3-11-7-15/h3-4,6-7H,5H2,1-2H3,(H,12,13,16)
InChIKey
SKYHHGPMKSDDQQ-UHFFFAOYSA-N
Canonic Smiles
CON(Cc1csc(n1)NC(=O)n1cncc1)C
Isomeric Smiles
n1(C(=O)Nc2nc(cs2)CN(OC)C)cncc1
Calculated Properties
JChem
Acid pKa
9.148007
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.060592026
LogD (pH = 7.4)
0.05394944
Log P
0.06126035
Molar Refractivity
67.0693
Polarizability
25.390572
Polar Surface Area
72.28
Rotatable Bonds
4
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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