Molecule

ID:104089

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO₂
Molecular Mass
311.418
Exact Mass
311.18852905
Charge
0
InChI
InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey
JGOAIQNSOGZNBX-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOC(=O)C(c1ccccc1)c1ccccc1)CC
Isomeric Smiles
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.98554623
LogD (pH = 7.4)
2.597116
Log P
4.165939
Molar Refractivity
94.3205
Polarizability
36.974365
Polar Surface Area
29.54
Rotatable Bonds
9
Lipinski's Rule of Five
true
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
References
Bioactivity
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