Molecule

ID:55860

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClNO₄S
Molecular Mass
375.91064
Exact Mass
375.127107
Charge
0
InChI
InChI=1S/C17H25NO4S.ClH/c1-23(19,20)22-16-7-12-21-17(13-16)8-10-18(11-9-17)14-15-5-3-2-4-6-15;/h2-6,16H,7-14H2,1H3;1H
InChIKey
OILQMXVONCONDP-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)OC1CCOC2(C1)CCN(CC2)Cc1ccccc1.Cl
Isomeric Smiles
C12(CC(CCO1)OS(=O)(=O)C)CCN(CC2)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.8947219
LogD (pH = 7.4)
-0.16190723
Log P
1.0538212
Molar Refractivity
89.4426
Polarizability
36.22107
Polar Surface Area
55.84
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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