Molecule

ID:71873

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₂S
Molecular Mass
250.277
Exact Mass
250.05244658
Charge
0
InChI
InChI=1S/C10H10N4O2S/c11-14-9(12-13-10(14)17)8-5-15-6-3-1-2-4-7(6)16-8/h1-4,8H,5,11H2,(H,13,17)
InChIKey
SCESYRFXYMDSGI-UHFFFAOYSA-N
Canonic Smiles
Nn1c(S)nnc1C1COc2c(O1)cccc2
Isomeric Smiles
n1(c(nnc1C1Oc2c(OC1)cccc2)S)N
Calculated Properties
JChem
Acid pKa
7.264738
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.22175498
LogD (pH = 7.4)
-0.123322144
Log P
0.22891068
Molar Refractivity
67.2492
Polarizability
24.419476
Polar Surface Area
75.19
Rotatable Bonds
1
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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