Molecule

ID:28913

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅Cl₂NO
Molecular Mass
366.3246
Exact Mass
365.13131979
Charge
0
InChI
InChI=1S/C20H25Cl2NO/c1-2-3-4-5-6-11-24-20-9-7-16(8-10-20)15-23-19-13-17(21)12-18(22)14-19/h7-10,12-14,23H,2-6,11,15H2,1H3
InChIKey
GTZWBNKFCKTHFJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)CNc1cc(Cl)cc(c1)Cl
Isomeric Smiles
c1(cc(cc(c1)Cl)Cl)NCc1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
19.529728
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.8774195
LogD (pH = 7.4)
6.878506
Log P
6.87852
Molar Refractivity
104.6138
Polarizability
40.19634
Polar Surface Area
21.26
Rotatable Bonds
10
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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