Molecule

ID:62628

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂S
Molecular Mass
274.767
Exact Mass
274.05427641
Charge
0
InChI
InChI=1S/C11H15ClN2O2S/c1-17(15,16)14-6-3-9(4-7-14)10-2-5-13-11(12)8-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKey
IGNHXSZWHALMKA-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(c2cc(ncc2)Cl)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7898257
LogD (pH = 7.4)
0.78984106
Log P
0.78984123
Molar Refractivity
68.3551
Polarizability
27.046642
Polar Surface Area
50.27
Rotatable Bonds
1
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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