Molecule

ID:57902

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄OS
Molecular Mass
234.2776
Exact Mass
234.05753196
Charge
0
InChI
InChI=1S/C10H10N4OS/c11-10-14-13-8(16-10)6-12-9(15)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)(H,12,15)
InChIKey
RJNSDUNRYYQVLO-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(s1)CNC(=O)c1ccccc1
Isomeric Smiles
s1c(nnc1CNC(=O)c1ccccc1)N
Calculated Properties
JChem
Acid pKa
14.023631
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4755693
LogD (pH = 7.4)
0.47557175
Log P
0.47557187
Molar Refractivity
63.4776
Polarizability
22.703241
Polar Surface Area
80.9
Rotatable Bonds
3
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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