Molecule

ID:28780

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO
Molecular Mass
331.87954
Exact Mass
331.17029214
Charge
0
InChI
InChI=1S/C20H26ClNO/c1-2-3-4-7-14-23-19-12-10-17(11-13-19)15-22-16-18-8-5-6-9-20(18)21/h5-6,8-13,22H,2-4,7,14-16H2,1H3
InChIKey
NRQQZJCSPQFMEM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)CNCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)CNCc1ccc(cc1)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.267437
LogD (pH = 7.4)
4.9882126
Log P
5.9154778
Molar Refractivity
98.2622
Polarizability
38.73995
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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