Molecule

ID:133473

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅ClN₂O₄S
Molecular Mass
364.888
Exact Mass
364.12235597
Charge
0
InChI
InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H
InChIKey
OTFDPNXIVHBTKW-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C)CC.Cl
Isomeric Smiles
CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C.Cl
Calculated Properties
JChem
Acid pKa
13.231915
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6663113
LogD (pH = 7.4)
0.022533497
Log P
0.4624599
Molar Refractivity
88.0162
Polarizability
34.26105
Polar Surface Area
75.71
Rotatable Bonds
8
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
No Data Available
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Molecule Details
References
Bioactivity
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