Molecule

ID:28916

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H19Cl2NO/c1-12(2)11-21-17-5-3-4-13(6-17)10-20-16-8-14(18)7-15(19)9-16/h3-9,12,20H,10-11H2,1-2H3
InChIKey
WUFVLDCFSQQENJ-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)CNc1cc(Cl)cc(c1)Cl)C
Isomeric Smiles
c1(cc(cc(c1)Cl)Cl)NCc1cc(OCC(C)C)ccc1
Calculated Properties
JChem
Acid pKa
19.522215
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.464126
LogD (pH = 7.4)
5.4652047
Log P
5.4652185
Molar Refractivity
90.6814
Polarizability
34.67278
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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