Molecule

ID:76423

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂S
Molecular Mass
261.76824
Exact Mass
261.05902744
Charge
0
InChI
InChI=1S/C11H15NO2S.ClH/c1-9-2-4-10(5-3-9)15(13,14)11-6-7-12-8-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKey
KVVYDFUAHPEACJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)C1CNCC1.Cl
Isomeric Smiles
S(=O)(=O)(C1CCNC1)c1ccc(cc1)C.Cl
Calculated Properties
JChem
Acid pKa
19.354345
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8670307
LogD (pH = 7.4)
-0.47484726
Log P
1.2151526
Molar Refractivity
60.021
Polarizability
24.391142
Polar Surface Area
46.17
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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