Molecule

ID:24591

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂S
Molecular Mass
171.6457
Exact Mass
171.01207725
Charge
0
InChI
InChI=1S/C4H9NO2S.ClH/c6-8(7)3-1-5-2-4-8;/h5H,1-4H2;1H
InChIKey
UOMTVKMKHZMFMQ-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCNCC1.Cl
Isomeric Smiles
S1(=O)(=O)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7339948
LogD (pH = 7.4)
-1.5357381
Log P
-1.5325217
Molar Refractivity
30.2952
Polarizability
13.122564
Polar Surface Area
46.17
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
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References
Bioactivity
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