Molecule

ID:105253

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNOS
Molecular Mass
153.63042
Exact Mass
153.00151256
Charge
0
InChI
InChI=1S/C4H7NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H2,1H3;1H
InChIKey
WQBZYABCGAIWNK-UHFFFAOYSA-N
Canonic Smiles
O=C1CCSN1C.Cl
Isomeric Smiles
Cl.CN1SCCC1=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.0014525746
LogD (pH = 7.4)
0.0014525746
Log P
0.0014525746
Molar Refractivity
30.2487
Polarizability
11.666746
Polar Surface Area
20.31
Rotatable Bonds
0
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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