Molecule

ID:12609

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂S
Molecular Mass
243.7099
Exact Mass
243.01207725
Charge
0
InChI
InChI=1S/C10H10ClNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKey
JMNONJXMGLSVNV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSC(N1)c1ccccc1Cl
Isomeric Smiles
C1(NC(SC1)c1c(cccc1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6110656
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.1758214
LogD (pH = 7.4)
-0.79960626
Log P
0.2480273
Molar Refractivity
60.0762
Polarizability
23.974518
Polar Surface Area
49.33
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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