Molecule

ID:92986

General Information
Structure
MolImage
Molecular Formula
C₂H₈ClNS
Molecular Mass
113.60962
Exact Mass
113.00659794
Charge
0
InChI
InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChIKey
OGMADIBCHLQMIP-UHFFFAOYSA-N
Canonic Smiles
NCCS.Cl
Isomeric Smiles
SCCN.Cl
Calculated Properties
JChem
Acid pKa
9.42294
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-3.1991591
LogD (pH = 7.4)
-2.195107
Log P
-0.41661316
Molar Refractivity
22.3937
Polarizability
8.998495
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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