Molecule

ID:29411

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₂
Molecular Mass
333.85236
Exact Mass
333.14955669
Charge
0
InChI
InChI=1S/C19H24ClNO2/c1-14(2)13-23-19-7-5-4-6-18(19)21-10-11-22-16-8-9-17(20)15(3)12-16/h4-9,12,14,21H,10-11,13H2,1-3H3
InChIKey
WWCOFKJSZPHYOH-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1NCCOc1ccc(c(c1)C)Cl)C
Isomeric Smiles
c1(c(ccc(c1)OCCNc1c(OCC(C)C)cccc1)Cl)C
Calculated Properties
JChem
Acid pKa
19.219887
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2541337
LogD (pH = 7.4)
5.2936435
Log P
5.2941713
Molar Refractivity
96.8574
Polarizability
37.08525
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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