Molecule

ID:42739

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂S
Molecular Mass
226.67938
Exact Mass
225.98552814
Charge
0
InChI
InChI=1S/C10H7ClO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChIKey
CKXPDFHEOUVFRD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1)c(Cl)ccc2
Isomeric Smiles
c1(cc2c(s1)cccc2Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5892317
LogD (pH = 7.4)
3.5892317
Log P
3.5892317
Molar Refractivity
56.0123
Polarizability
22.823622
Polar Surface Area
26.3
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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