Molecule

ID:22182

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O₃S
Molecular Mass
330.83026
Exact Mass
330.08049116
Charge
0
InChI
InChI=1S/C14H19ClN2O3S/c1-9-7-12(11(15)8-13(9)21(2,19)20)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)
InChIKey
WNLJSKKUOGWLEI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)c1cc(C)c(cc1Cl)S(=O)(=O)C
Isomeric Smiles
c1(c(cc(c(c1)N1CCC(CC1)C(=O)N)Cl)S(=O)(=O)C)C
Calculated Properties
JChem
Acid pKa
15.003707
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3052292
LogD (pH = 7.4)
1.3052323
Log P
1.3052323
Molar Refractivity
84.5403
Polarizability
32.68236
Polar Surface Area
80.47
Rotatable Bonds
3
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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