Molecule

ID:55130

General Information
Structure
MolImage
Molecular Formula
C₄H₁₃ClN₂O₂S
Molecular Mass
188.67622
Exact Mass
188.03862635
Charge
0
InChI
InChI=1S/C4H12N2O2S.ClH/c1-6(4-3-5)9(2,7)8;/h3-5H2,1-2H3;1H
InChIKey
XFDMJZRNRCNOOL-UHFFFAOYSA-N
Canonic Smiles
NCCN(S(=O)(=O)C)C.Cl
Isomeric Smiles
N(CCN)(C)S(=O)(=O)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.819799
LogD (pH = 7.4)
-3.6001801
Log P
-1.8848811
Molar Refractivity
35.8101
Polarizability
14.991998
Polar Surface Area
63.4
Rotatable Bonds
2
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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