Molecule

ID:110355

General Information
Structure
MolImage
Molecular Formula
C₃H₅ClOS
Molecular Mass
124.5892
Exact Mass
123.97496346
Charge
0
InChI
InChI=1S/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3
InChIKey
QCMHWZUFWLOOGI-UHFFFAOYSA-N
Canonic Smiles
CCSC(=O)Cl
Isomeric Smiles
CCSC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9369346
LogD (pH = 7.4)
1.9369346
Log P
1.9369346
Molar Refractivity
29.2193
Polarizability
11.367442
Polar Surface Area
17.07
Rotatable Bonds
2
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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