Molecule

ID:132396

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClNOS
Molecular Mass
153.63042
Exact Mass
153.00151256
Charge
0
InChI
InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKey
ZSEGSUBKDDEALH-DFWYDOINSA-N
Canonic Smiles
O=C1SCC[C@@H]1N.Cl
Isomeric Smiles
C1CSC(=O)[C@H]1N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5003874
LogD (pH = 7.4)
-0.81341934
Log P
-0.25033888
Molar Refractivity
29.7591
Polarizability
12.082556
Polar Surface Area
43.09
Rotatable Bonds
0
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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