Molecule

ID:23918

General Information
Structure
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Molecular Formula
C₄H₈ClNO₂S
Molecular Mass
169.62982
Exact Mass
168.99642718
Charge
0
InChI
InChI=1S/C4H7NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h1-2,4H,3,5H2;1H
InChIKey
LKFDPRBLUFZFJH-UHFFFAOYSA-N
Canonic Smiles
NC1C=CS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(C=C1)N.Cl
Calculated Properties
JChem
Acid pKa
14.900577
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.877647
LogD (pH = 7.4)
-2.1833222
Log P
-1.5292104
Molar Refractivity
30.3799
Polarizability
12.872576
Polar Surface Area
60.16
Rotatable Bonds
0
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
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Molecule Details
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References
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Bioactivity
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