Molecule

ID:135643

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClOS
Molecular Mass
152.64236
Exact Mass
152.00626359
Charge
0
InChI
InChI=1S/C5H9ClOS/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
InChIKey
COAWFKOHQQDMBK-UHFFFAOYSA-N
Canonic Smiles
CC(CSC(=O)Cl)C
Isomeric Smiles
CC(C)CSC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8244298
LogD (pH = 7.4)
2.8244298
Log P
2.8244298
Molar Refractivity
38.2149
Polarizability
15.017005
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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