Molecule

ID:23951

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₂O₃S
Molecular Mass
327.22734
Exact Mass
326.02586874
Charge
0
InChI
InChI=1S/C11H15ClN2O3S.ClH/c1-17-10-3-2-9(12)8-11(10)18(15,16)14-6-4-13-5-7-14;/h2-3,8,13H,4-7H2,1H3;1H
InChIKey
SZDDFDUHXFLUIU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)N1CCNCC1)Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OC)S(=O)(=O)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.72457
LogD (pH = 7.4)
0.73848337
Log P
0.93707377
Molar Refractivity
70.0327
Polarizability
28.226732
Polar Surface Area
58.64
Rotatable Bonds
2
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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