Molecule

ID:29579

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇Cl₂NO
Molecular Mass
358.26108
Exact Mass
357.06871953
Charge
0
InChI
InChI=1S/C20H17Cl2NO/c21-17-11-10-16(18(22)12-17)13-23-19-8-4-5-9-20(19)24-14-15-6-2-1-3-7-15/h1-12,23H,13-14H2
InChIKey
WAEXTEMTHLQXMG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CNc1ccccc1OCc1ccccc1
Isomeric Smiles
c1(c(CNc2c(OCc3ccccc3)cccc2)ccc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
18.863817
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.9255347
LogD (pH = 7.4)
5.9451327
Log P
5.9453883
Molar Refractivity
101.5498
Polarizability
38.740765
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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