Molecule

ID:31744

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂S
Molecular Mass
254.69278
Exact Mass
253.99167615
Charge
0
InChI
InChI=1S/C10H7ClN2O2S/c11-6-3-1-5(2-4-6)8-7(9(14)15)13-10(12)16-8/h1-4H,(H2,12,13)(H,14,15)
InChIKey
WSUPUSJWNYAWCU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1sc(nc1C(=O)O)N
Isomeric Smiles
c1(c(sc(n1)N)c1ccc(cc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
4.037755
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1652747
LogD (pH = 7.4)
-0.4368794
Log P
2.544362
Molar Refractivity
62.0494
Polarizability
24.452196
Polar Surface Area
76.21
Rotatable Bonds
2
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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