Molecule

ID:28876

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-3-4-7-14-22-19-9-6-5-8-16(19)15-20-17-10-12-18(21-2)13-11-17/h5-6,8-13,20H,3-4,7,14-15H2,1-2H3
InChIKey
OEZOWIXCTDQUQW-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1CNc1ccc(cc1)OC
Isomeric Smiles
c1(CNc2ccc(cc2)OC)c(OCCCCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.533261
LogD (pH = 7.4)
4.622359
Log P
4.6236224
Molar Refractivity
92.2654
Polarizability
35.324642
Polar Surface Area
30.49
Rotatable Bonds
9
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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