Molecule

ID:41223

General Information
Structure
Molecular Formula
C₁₅H₂₁NO₂
Molecular Mass
247.33274
Exact Mass
247.15722892
Charge
0
InChI
InChI=1S/C15H21NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3
InChIKey
AGSKYKDXQOBAPX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccccc1)N1CCCCC1
Isomeric Smiles
N1(C(C(=O)OCC)c2ccccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3650756
LogD (pH = 7.4)
2.7856693
Log P
2.9576504
Molar Refractivity
72.0903
Polarizability
28.463493
Polar Surface Area
29.54
Rotatable Bonds
5
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
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References
Bioactivity
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