Molecule

ID:11269

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O₂S
Molecular Mass
200.68692
Exact Mass
200.03862635
Charge
0
InChI
InChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-4-2-6-3-5-7;/h6H,2-5H2,1H3;1H
InChIKey
MWIYRLXMLHRLDT-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)N1CCNCC1.Cl
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.286483
LogD (pH = 7.4)
-1.8228066
Log P
-1.6238258
Molar Refractivity
38.6157
Polarizability
16.10821
Polar Surface Area
49.41
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
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Molecule Details
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References
Bioactivity
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