Molecule

ID:28697

General Information
Structure
Molecular Formula
C₁₉H₂₄ClNO₂
Molecular Mass
333.85236
Exact Mass
333.14955669
Charge
0
InChI
InChI=1S/C19H24ClNO2/c1-13(2)23-18-8-6-5-7-17(18)21-9-10-22-16-11-14(3)19(20)15(4)12-16/h5-8,11-13,21H,9-10H2,1-4H3
InChIKey
AHPWROHEVWKCKH-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1NCCOc1cc(C)c(c(c1)C)Cl)C
Isomeric Smiles
c1(c(cc(cc1C)OCCNc1c(OC(C)C)cccc1)C)Cl
Calculated Properties
JChem
Acid pKa
19.195925
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.297908
LogD (pH = 7.4)
5.3361626
Log P
5.336673
Molar Refractivity
97.3218
Polarizability
37.007404
Polar Surface Area
30.49
Rotatable Bonds
7
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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