Molecule

ID:29518

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₃
Molecular Mass
349.85176
Exact Mass
349.14447131
Charge
0
InChI
InChI=1S/C19H24ClNO3/c1-3-22-12-13-24-17-6-4-16(5-7-17)21-10-11-23-18-8-9-19(20)15(2)14-18/h4-9,14,21H,3,10-13H2,1-2H3
InChIKey
JZNXYRUREAXYMR-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)NCCOc1ccc(c(c1)C)Cl
Isomeric Smiles
c1(c(ccc(c1)OCCNc1ccc(cc1)OCCOCC)Cl)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.192968
LogD (pH = 7.4)
4.3571463
Log P
4.3597007
Molar Refractivity
98.9053
Polarizability
37.77772
Polar Surface Area
39.72
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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