Molecule

ID:29422

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-15(2)14-22-19-6-4-5-17(13-19)20-11-12-21-18-9-7-16(3)8-10-18/h4-10,13,15,20H,11-12,14H2,1-3H3
InChIKey
HXHIQQZQRDETIR-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)NCCOc1ccc(cc1)C)C
Isomeric Smiles
c1c(OCC(C)C)cccc1NCCOc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6831803
LogD (pH = 7.4)
4.6900387
Log P
4.690127
Molar Refractivity
92.0526
Polarizability
35.250614
Polar Surface Area
30.49
Rotatable Bonds
8
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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