Molecule

ID:123551

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₂S
Molecular Mass
233.24648
Exact Mass
233.02589748
Charge
0
InChI
InChI=1S/C10H7N3O2S/c11-9-12-7(4-16-9)5-1-2-6-8(3-5)15-10(14)13-6/h1-4H,(H2,11,12)(H,13,14)
InChIKey
TZUQTONJVNMLHG-UHFFFAOYSA-N
Canonic Smiles
Nc1scc(n1)c1ccc2c(c1)oc(=O)[nH]2
Isomeric Smiles
n1c(csc1N)c1cc2oc(=O)[nH]c2cc1
Calculated Properties
JChem
Acid pKa
9.396667
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8635035
LogD (pH = 7.4)
1.8744867
Log P
1.8788191
Molar Refractivity
60.4105
Polarizability
23.181314
Polar Surface Area
77.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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