Molecule

ID:28954

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H19Cl2NO/c1-11-9-14(10-12(2)17(11)19)21-8-7-20-16-6-4-5-15(18)13(16)3/h4-6,9-10,20H,7-8H2,1-3H3
InChIKey
VHTHOQQCVYGKQF-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NCCOc2cc(C)c(c(c2)C)Cl)cccc1Cl
Isomeric Smiles
c1(c(cc(cc1C)OCCNc1c(c(Cl)ccc1)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.8320484
LogD (pH = 7.4)
5.838346
Log P
5.838427
Molar Refractivity
91.5372
Polarizability
34.4348
Polar Surface Area
21.26
Rotatable Bonds
5
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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