Molecule

ID:29233

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO₂
Molecular Mass
347.87894
Exact Mass
347.16520676
Charge
0
InChI
InChI=1S/C20H26ClNO2/c1-3-4-5-6-13-24-18-10-7-16(8-11-18)15-22-17-9-12-20(23-2)19(21)14-17/h7-12,14,22H,3-6,13,15H2,1-2H3
InChIKey
YPCTZBYHJCGYFR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)CNc1ccc(c(c1)Cl)OC
Isomeric Smiles
c1(cc(NCc2ccc(cc2)OCCCCCC)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.6281767
LogD (pH = 7.4)
5.671652
Log P
5.6722355
Molar Refractivity
101.6712
Polarizability
39.02722
Polar Surface Area
30.49
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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