Molecule

ID:116328

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O₅S
Molecular Mass
360.81318
Exact Mass
360.05467033
Charge
0
InChI
InChI=1S/C14H17ClN2O5S/c1-2-22-14(19)16-7-9-17(10-8-16)23(20,21)12-5-3-11(4-6-12)13(15)18/h3-6H,2,7-10H2,1H3
InChIKey
WFKKNYLZMJSVIN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Cl
Isomeric Smiles
S(=O)(=O)(N1CCN(C(=O)OCC)CC1)c1ccc(C(=O)Cl)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2676543
LogD (pH = 7.4)
1.2676543
Log P
1.2676543
Molar Refractivity
85.8175
Polarizability
33.592564
Polar Surface Area
83.99
Rotatable Bonds
4
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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