Molecule

ID:116332

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClOS
Molecular Mass
200.68516
Exact Mass
200.00626359
Charge
0
InChI
InChI=1S/C9H9ClOS/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKey
PRFYPNGSTNJXQV-UHFFFAOYSA-N
Canonic Smiles
CCSc1ccccc1C(=O)Cl
Isomeric Smiles
c1(C(=O)Cl)c(SCC)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0454054
LogD (pH = 7.4)
3.0454054
Log P
3.0454054
Molar Refractivity
54.7294
Polarizability
20.803965
Polar Surface Area
17.07
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
No Data Available
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Molecule Details
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References
Bioactivity
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