Molecule

ID:28718

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-14(2)21-19-7-5-6-17(12-19)20-13-16(4)22-18-10-8-15(3)9-11-18/h5-12,14,16,20H,13H2,1-4H3
InChIKey
HWJKWFGXDBXFDS-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C)CNc1cccc(c1)OC(C)C
Isomeric Smiles
c1c(OC(C)C)cccc1NCC(Oc1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6285734
LogD (pH = 7.4)
4.63569
Log P
4.635782
Molar Refractivity
91.8946
Polarizability
35.2503
Polar Surface Area
30.49
Rotatable Bonds
7
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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