Molecule

ID:132758

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₄S
Molecular Mass
397.91616
Exact Mass
397.11145693
Charge
0
InChI
InChI=1S/C19H23NO4S.ClH/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14;/h3-9,14,20H,10-13H2,1-2H3;1H
InChIKey
OWRADFDDJVNMGL-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCCNCC1CSc2c(O1)cccc2)OC.Cl
Isomeric Smiles
COc1cccc(c1OCCNCC1CSc2ccccc2O1)OC.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.0011875667
LogD (pH = 7.4)
1.4766486
Log P
3.036652
Molar Refractivity
99.3875
Polarizability
39.368404
Polar Surface Area
48.95
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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