Molecule

ID:29095

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H19Cl2NO/c1-2-3-11-21-16-10-5-4-7-13(16)12-20-15-9-6-8-14(18)17(15)19/h4-10,20H,2-3,11-12H2,1H3
InChIKey
NGBASQXBNNTWOH-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1CNc1cccc(c1Cl)Cl
Isomeric Smiles
c1(c(NCc2c(OCCCC)cccc2)cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
17.193857
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5445466
LogD (pH = 7.4)
5.544811
Log P
5.544814
Molar Refractivity
90.8108
Polarizability
34.704166
Polar Surface Area
21.26
Rotatable Bonds
7
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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